2-(3-aminophenyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone

C17H19NO2 — CID 103434852

IUPAC2-(3-aminophenyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone
SMILESCOc1c(C(=O)Cc2cccc(N)c2)ccc(C)c1C
InChIInChI=1S/C17H19NO2/c1-11-7-8-15(17(20-3)12(11)2)16(19)10-13-5-4-6-14(18)9-13/h4-9H,10,18H2,1-3H3
InChIKeyGMEXEBYKDQCNAD-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.32
Rot. Bonds4

About 2-(3-aminophenyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone

2-(3-aminophenyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone (PubChem CID 103434852) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(3-aminophenyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-aminophenyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone
PubChem CID103434852
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-(3-aminophenyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone
SMILESCOc1c(C(=O)Cc2cccc(N)c2)ccc(C)c1C
InChIInChI=1S/C17H19NO2/c1-11-7-8-15(17(20-3)12(11)2)16(19)10-13-5-4-6-14(18)9-13/h4-9H,10,18H2,1-3H3
InChIKeyGMEXEBYKDQCNAD-UHFFFAOYSA-N
XLogP3.32
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxy-3,4-dimethylphenyl)-4-phenylbutan-1-one
CID 103434986
2-(3-aminophenyl)-1-(4-methylphenyl)ethanone
CID 116577086
2-(3-aminophenyl)-1-(3-methylphenyl)ethanone
CID 116577163
1-(4,5-dimethoxy-2-methylphenyl)-2-(3-methylphenyl)ethanone
CID 62389766
N-[(3-aminophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 62553117
2-(1-aminocyclopentyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone
CID 103434857
1-(2-methoxy-3,4-dimethylphenyl)-2-propoxyethanone
CID 103432888
1-(2-methoxy-3,4-dimethylphenyl)heptan-1-one
CID 103435068
1-(3-amino-2-methylphenyl)-2-(3,4-dimethylphenyl)ethanone
CID 116604407
2-phenyl-1-(2,3,4-trimethoxyphenyl)ethanone
CID 14284964
1-(3-amino-2-methylphenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 116604463
1-(4-bromo-2-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 61078247

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone?
The IUPAC name of 2-(3-aminophenyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone (CID 103434852) is 2-(3-aminophenyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(3-aminophenyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone?
The canonical SMILES for 2-(3-aminophenyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone is COc1c(C(=O)Cc2cccc(N)c2)ccc(C)c1C.
What is the InChIKey of 2-(3-aminophenyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone?
The InChIKey is GMEXEBYKDQCNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-11-7-8-15(17(20-3)12(11)2)16(19)10-13-5-4-6-14(18)9-13/h4-9H,10,18H2,1-3H3.
What are the key properties of 2-(3-aminophenyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone?
2-(3-aminophenyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone has a molecular weight of 269.34 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone is sourced from PubChem (CID 103434852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).