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156261-32-4 molecular structure
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(2-amino-5-methylphenyl)(phenyl)methanol

ChemBase ID: 10997
Molecular Formular: C14H15NO
Molecular Mass: 213.275
Monoisotopic Mass: 213.11536411
SMILES and InChIs

SMILES:
c1(C(c2ccccc2)O)cc(ccc1N)C
Canonical SMILES:
Cc1ccc(c(c1)C(c1ccccc1)O)N
InChI:
InChI=1S/C14H15NO/c1-10-7-8-13(15)12(9-10)14(16)11-5-3-2-4-6-11/h2-9,14,16H,15H2,1H3
InChIKey:
RFGHBTFPMINONZ-UHFFFAOYSA-N

Cite this record

CBID:10997 http://www.chembase.cn/molecule-10997.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-amino-5-methylphenyl)(phenyl)methanol
IUPAC Traditional name
(2-amino-5-methylphenyl)(phenyl)methanol
Synonyms
(2-Amino-5-methylphenyl)phenylmethanol
CAS Number
156261-32-4
MDL Number
MFCD00447496
PubChem SID
160974304
PubChem CID
2861941

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 2861941 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.740538  H Acceptors
H Donor LogD (pH = 5.5) 2.6663198 
LogD (pH = 7.4) 2.6745257  Log P 2.6746316 
Molar Refractivity 66.8983 cm3 Polarizability 25.305073 Å3
Polar Surface Area 46.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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