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(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
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ChemBase ID:
798097
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Molecular Formular:
C11H15NO
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Molecular Mass:
177.2429
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Monoisotopic Mass:
177.11536411
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SMILES and InChIs
SMILES:
C1[C@@H](CCc2ccc(cc12)OC)N
Canonical SMILES:
COc1ccc2c(c1)C[C@@H](CC2)N
InChI:
InChI=1S/C11H15NO/c1-13-11-5-3-8-2-4-10(12)6-9(8)7-11/h3,5,7,10H,2,4,6,12H2,1H3/t10-/m1/s1
InChIKey:
ZNWNWWLWFCCREO-SNVBAGLBSA-N
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Cite this record
CBID:798097 http://www.chembase.cn/molecule-798097.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
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IUPAC Traditional name
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(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
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Synonyms
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(r)-2-amino-7-methoxytetralin
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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2
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H Donor
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1
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LogD (pH = 5.5)
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-1.2445631
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LogD (pH = 7.4)
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-0.69571847
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Log P
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1.7742285
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Molar Refractivity
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53.3304 cm3
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Polarizability
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20.863153 Å3
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Polar Surface Area
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35.25 Å2
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Rotatable Bonds
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1
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Product Information
Bioassay(PubChem)
Purity
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97%
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent