1-(3-amino-4-methylphenyl)-2-(2-methylanilino)ethanone

C16H18N2O — CID 82482003

IUPAC1-(3-amino-4-methylphenyl)-2-(2-methylanilino)ethanone
SMILESCc1ccc(C(=O)CNc2ccccc2C)cc1N
InChIInChI=1S/C16H18N2O/c1-11-7-8-13(9-14(11)17)16(19)10-18-15-6-4-3-5-12(15)2/h3-9,18H,10,17H2,1-2H3
InChIKeySWTKBVMUJQMLHW-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.18
Rot. Bonds4

About 1-(3-amino-4-methylphenyl)-2-(2-methylanilino)ethanone

1-(3-amino-4-methylphenyl)-2-(2-methylanilino)ethanone (PubChem CID 82482003) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(3-amino-4-methylphenyl)-2-(2-methylanilino)ethanone.

Molecular Properties

Compound Name1-(3-amino-4-methylphenyl)-2-(2-methylanilino)ethanone
PubChem CID82482003
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-(3-amino-4-methylphenyl)-2-(2-methylanilino)ethanone
SMILESCc1ccc(C(=O)CNc2ccccc2C)cc1N
InChIInChI=1S/C16H18N2O/c1-11-7-8-13(9-14(11)17)16(19)10-18-15-6-4-3-5-12(15)2/h3-9,18H,10,17H2,1-2H3
InChIKeySWTKBVMUJQMLHW-UHFFFAOYSA-N
XLogP3.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-4-methylphenyl)-2-(3-fluoroanilino)ethanone
CID 82483415
1-(3-amino-4-methylphenyl)-3-(2-fluoroanilino)propan-1-one
CID 96668427
1-(4-methoxyphenyl)-2-(2-methylanilino)ethanone
CID 94271266
1-(3-amino-4-methylphenyl)-2-(3-methoxyanilino)ethanone
CID 96667576
1-(3-amino-4-methylphenyl)-2-(butylamino)ethanone
CID 98014245
N,N-dimethyl-3-[2-(2-methylanilino)acetyl]benzenesulfonamide
CID 110824385
2-(2-methylanilino)acetohydrazide
CID 730478
3-amino-N-tert-butyl-4-methylbenzamide
CID 12607979
N-(2-acetylphenyl)-3-amino-4-methylbenzamide
CID 110488218
1-(3-amino-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanone
CID 116550862
1-(3-amino-4-methylphenyl)-3-[benzyl(methyl)amino]propan-1-one
CID 82136060
1-(3-amino-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanone
CID 116550897

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylphenyl)-2-(2-methylanilino)ethanone?
The IUPAC name of 1-(3-amino-4-methylphenyl)-2-(2-methylanilino)ethanone (CID 82482003) is 1-(3-amino-4-methylphenyl)-2-(2-methylanilino)ethanone.
What is the SMILES notation for 1-(3-amino-4-methylphenyl)-2-(2-methylanilino)ethanone?
The canonical SMILES for 1-(3-amino-4-methylphenyl)-2-(2-methylanilino)ethanone is Cc1ccc(C(=O)CNc2ccccc2C)cc1N.
What is the InChIKey of 1-(3-amino-4-methylphenyl)-2-(2-methylanilino)ethanone?
The InChIKey is SWTKBVMUJQMLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-7-8-13(9-14(11)17)16(19)10-18-15-6-4-3-5-12(15)2/h3-9,18H,10,17H2,1-2H3.
What are the key properties of 1-(3-amino-4-methylphenyl)-2-(2-methylanilino)ethanone?
1-(3-amino-4-methylphenyl)-2-(2-methylanilino)ethanone has a molecular weight of 254.33 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methylphenyl)-2-(2-methylanilino)ethanone is sourced from PubChem (CID 82482003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).