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

C17H19NO3 — CID 174884025

IUPAC3-amino-2-(3,4-dimethoxyphenyl)-1-phenylpropan-1-one
SMILESCOc1ccc(C(CN)C(=O)c2ccccc2)cc1OC
InChIInChI=1S/C17H19NO3/c1-20-15-9-8-13(10-16(15)21-2)14(11-18)17(19)12-6-4-3-5-7-12/h3-10,14H,11,18H2,1-2H3
InChIKeyRHAYRRLKRRZXCN-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.63
Rot. Bonds6

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

3-amino-2-(3,4-dimethoxyphenyl)-1-phenylpropan-1-one (PubChem CID 174884025) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-amino-2-(3,4-dimethoxyphenyl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-2-(3,4-dimethoxyphenyl)-1-phenylpropan-1-one
PubChem CID174884025
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-amino-2-(3,4-dimethoxyphenyl)-1-phenylpropan-1-one
SMILESCOc1ccc(C(CN)C(=O)c2ccccc2)cc1OC
InChIInChI=1S/C17H19NO3/c1-20-15-9-8-13(10-16(15)21-2)14(11-18)17(19)12-6-4-3-5-7-12/h3-10,14H,11,18H2,1-2H3
InChIKeyRHAYRRLKRRZXCN-UHFFFAOYSA-N
XLogP2.63
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-bis(3,4-dimethoxyphenyl)-1-phenylethanone
CID 71357609
3-amino-1-(3,4-dimethoxyphenyl)-2-phenylpropan-1-ol
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3-amino-2-(4-methoxy-3-methylphenyl)propanoic acid
CID 22339839
1,2-bis(3,4-dimethoxyphenyl)-3-(dimethylamino)propan-1-one
CID 10981602
3-amino-2-(4-cyclopropyloxy-3-methoxyphenyl)propanoic acid
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3-(3,4-dimethoxyphenyl)-3-hydroxy-2,2-dimethylpropanoic acid
CID 62398262
4-amino-3-(3,4-dimethoxyphenyl)butanoic acid;hydrochloride
CID 57432823
3-amino-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 82394258
(2S)-1,2-bis(3,4-dimethoxyphenyl)pent-4-en-1-one
CID 10871981
1,2-bis(3,4-dimethoxyphenyl)pent-4-en-1-one
CID 11035669
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 7311220
(2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 93090141

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3,4-dimethoxyphenyl)-1-phenylpropan-1-one?
The IUPAC name of 3-amino-2-(3,4-dimethoxyphenyl)-1-phenylpropan-1-one (CID 174884025) is 3-amino-2-(3,4-dimethoxyphenyl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-amino-2-(3,4-dimethoxyphenyl)-1-phenylpropan-1-one?
The canonical SMILES for 3-amino-2-(3,4-dimethoxyphenyl)-1-phenylpropan-1-one is COc1ccc(C(CN)C(=O)c2ccccc2)cc1OC.
What is the InChIKey of 3-amino-2-(3,4-dimethoxyphenyl)-1-phenylpropan-1-one?
The InChIKey is RHAYRRLKRRZXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-20-15-9-8-13(10-16(15)21-2)14(11-18)17(19)12-6-4-3-5-7-12/h3-10,14H,11,18H2,1-2H3.
What are the key properties of 3-amino-2-(3,4-dimethoxyphenyl)-1-phenylpropan-1-one?
3-amino-2-(3,4-dimethoxyphenyl)-1-phenylpropan-1-one has a molecular weight of 285.34 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3,4-dimethoxyphenyl)-1-phenylpropan-1-one is sourced from PubChem (CID 174884025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).