1-(3-amino-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanone

C17H19NO2 — CID 116551055

IUPAC1-(3-amino-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanone
SMILESCOc1ccc(C)cc1CC(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C17H19NO2/c1-11-4-7-17(20-3)14(8-11)10-16(19)13-6-5-12(2)15(18)9-13/h4-9H,10,18H2,1-3H3
InChIKeyBNZHTGPXTMGQKO-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.32
Rot. Bonds4

About 1-(3-amino-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanone

1-(3-amino-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanone (PubChem CID 116551055) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(3-amino-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-amino-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanone
PubChem CID116551055
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-(3-amino-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanone
SMILESCOc1ccc(C)cc1CC(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C17H19NO2/c1-11-4-7-17(20-3)14(8-11)10-16(19)13-6-5-12(2)15(18)9-13/h4-9H,10,18H2,1-3H3
InChIKeyBNZHTGPXTMGQKO-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-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 115736498
2-(2,5-dimethylphenyl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 63527525
1-[4-(aminomethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 116548317
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 114965738
1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63490270
1-(2,3-dihydro-1H-isoindol-5-yl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116613084
1-[4-(2-aminoethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 116577757
1-(2,5-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 114965749
5-[(2-methoxy-5-methylphenyl)methyl]-2-methylaniline
CID 82044512
2-(2-methoxy-5-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone
CID 105085291
1-(3-amino-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanone
CID 116550862
1-(2-amino-4-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 64915978

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanone?
The IUPAC name of 1-(3-amino-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanone (CID 116551055) is 1-(3-amino-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanone.
What is the SMILES notation for 1-(3-amino-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanone?
The canonical SMILES for 1-(3-amino-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanone is COc1ccc(C)cc1CC(=O)c1ccc(C)c(N)c1.
What is the InChIKey of 1-(3-amino-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanone?
The InChIKey is BNZHTGPXTMGQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-11-4-7-17(20-3)14(8-11)10-16(19)13-6-5-12(2)15(18)9-13/h4-9H,10,18H2,1-3H3.
What are the key properties of 1-(3-amino-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanone?
1-(3-amino-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)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 1-(3-amino-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanone is sourced from PubChem (CID 116551055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).