1-amino-3-(3,4-dimethoxyphenyl)-2-phenylpropan-2-ol

C17H21NO3 — CID 57223105

IUPAC1-amino-3-(3,4-dimethoxyphenyl)-2-phenylpropan-2-ol
SMILESCOc1ccc(CC(O)(CN)c2ccccc2)cc1OC
InChIInChI=1S/C17H21NO3/c1-20-15-9-8-13(10-16(15)21-2)11-17(19,12-18)14-6-4-3-5-7-14/h3-10,19H,11-12,18H2,1-2H3
InChIKeyVSGDKSHKQBDKKB-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.09
Rot. Bonds6

About 1-amino-3-(3,4-dimethoxyphenyl)-2-phenylpropan-2-ol

1-amino-3-(3,4-dimethoxyphenyl)-2-phenylpropan-2-ol (PubChem CID 57223105) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-amino-3-(3,4-dimethoxyphenyl)-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(3,4-dimethoxyphenyl)-2-phenylpropan-2-ol
PubChem CID57223105
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-amino-3-(3,4-dimethoxyphenyl)-2-phenylpropan-2-ol
SMILESCOc1ccc(CC(O)(CN)c2ccccc2)cc1OC
InChIInChI=1S/C17H21NO3/c1-20-15-9-8-13(10-16(15)21-2)11-17(19,12-18)14-6-4-3-5-7-14/h3-10,19H,11-12,18H2,1-2H3
InChIKeyVSGDKSHKQBDKKB-UHFFFAOYSA-N
XLogP2.09
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-phenylpentan-2-ol
CID 65146578
1-amino-4-(2-methoxyphenoxy)-2-phenylbutan-2-ol
CID 116696064
4-chloro-1-(3-fluoro-4-methoxyphenyl)-2-phenylbutan-2-ol
CID 116696364
2-(aminomethyl)-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid;hydrochloride
CID 154832939
2-[(3,4-dimethoxyphenyl)methyl]-2-ethylbutan-1-amine
CID 82111063
3-(aminomethyl)-4-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol
CID 66091190
2-(aminomethyl)-3-(3-bromo-4-methoxyphenyl)-2-phenylpropan-1-ol
CID 106508119
2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid
CID 3831656
2-(aminomethyl)-2-cyclopropyl-3-(3,4-dimethoxyphenyl)propanoic acid
CID 106489749
1-(3,4-dimethoxyphenyl)-1-phenylethanol
CID 55116125
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
1-bromo-3-(3,4-dimethoxyphenyl)-1,1-difluoro-2-methylpropan-2-ol
CID 107140181

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3,4-dimethoxyphenyl)-2-phenylpropan-2-ol?
The IUPAC name of 1-amino-3-(3,4-dimethoxyphenyl)-2-phenylpropan-2-ol (CID 57223105) is 1-amino-3-(3,4-dimethoxyphenyl)-2-phenylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(3,4-dimethoxyphenyl)-2-phenylpropan-2-ol?
The canonical SMILES for 1-amino-3-(3,4-dimethoxyphenyl)-2-phenylpropan-2-ol is COc1ccc(CC(O)(CN)c2ccccc2)cc1OC.
What is the InChIKey of 1-amino-3-(3,4-dimethoxyphenyl)-2-phenylpropan-2-ol?
The InChIKey is VSGDKSHKQBDKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-20-15-9-8-13(10-16(15)21-2)11-17(19,12-18)14-6-4-3-5-7-14/h3-10,19H,11-12,18H2,1-2H3.
What are the key properties of 1-amino-3-(3,4-dimethoxyphenyl)-2-phenylpropan-2-ol?
1-amino-3-(3,4-dimethoxyphenyl)-2-phenylpropan-2-ol has a molecular weight of 287.36 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3,4-dimethoxyphenyl)-2-phenylpropan-2-ol is sourced from PubChem (CID 57223105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).