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56490-94-9 molecular structure
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1-(4-methoxyphenyl)-2-methylpropan-2-amine

ChemBase ID: 804237
Molecular Formular: C11H17NO
Molecular Mass: 179.25878
Monoisotopic Mass: 179.13101417
SMILES and InChIs

SMILES:
C(C(C)(N)C)c1ccc(cc1)OC
Canonical SMILES:
COc1ccc(cc1)CC(N)(C)C
InChI:
InChI=1S/C11H17NO/c1-11(2,12)8-9-4-6-10(13-3)7-5-9/h4-7H,8,12H2,1-3H3
InChIKey:
DUMKDWRRTLFHTA-UHFFFAOYSA-N

Cite this record

CBID:804237 http://www.chembase.cn/molecule-804237.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(4-methoxyphenyl)-2-methylpropan-2-amine
IUPAC Traditional name
1-(4-methoxyphenyl)-2-methylpropan-2-amine
Synonyms
1-(4-METHOXYPHENYL)-2-METHYLPROPAN-2-AMINE
CAS Number
56490-94-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O21116 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O21116 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.0981616  LogD (pH = 7.4) -0.71900606 
Log P 1.9271559  Molar Refractivity 54.8066 cm3
Polarizability 21.681377 Å3 Polar Surface Area 35.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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