1-[2-amino-4-(3-ethylanilino)phenyl]ethanone

C16H18N2O — CID 104528330

IUPAC1-[2-amino-4-(3-ethylanilino)phenyl]ethanone
SMILESCCc1cccc(Nc2ccc(C(C)=O)c(N)c2)c1
InChIInChI=1S/C16H18N2O/c1-3-12-5-4-6-13(9-12)18-14-7-8-15(11(2)19)16(17)10-14/h4-10,18H,3,17H2,1-2H3
InChIKeyGKBCYMVTKQWKBB-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.78
Rot. Bonds4

About 1-[2-amino-4-(3-ethylanilino)phenyl]ethanone

1-[2-amino-4-(3-ethylanilino)phenyl]ethanone (PubChem CID 104528330) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[2-amino-4-(3-ethylanilino)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-(3-ethylanilino)phenyl]ethanone
PubChem CID104528330
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-[2-amino-4-(3-ethylanilino)phenyl]ethanone
SMILESCCc1cccc(Nc2ccc(C(C)=O)c(N)c2)c1
InChIInChI=1S/C16H18N2O/c1-3-12-5-4-6-13(9-12)18-14-7-8-15(11(2)19)16(17)10-14/h4-10,18H,3,17H2,1-2H3
InChIKeyGKBCYMVTKQWKBB-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
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-[2-amino-4-(3-fluoroanilino)phenyl]ethanone
CID 104528314
1-[2-amino-4-(4-butylanilino)phenyl]ethanone
CID 104528379
1-[2-amino-4-[(4-ethylphenyl)methylamino]phenyl]ethanone
CID 106899320
1-[2-amino-4-(3,5-dimethylanilino)phenyl]ethanone
CID 104528323
1-[2-amino-4-(2,6-difluoroanilino)phenyl]ethanone
CID 104528342
3-amino-4-bromo-N-(3-ethylphenyl)benzamide
CID 61090789
4-(4-acetyl-3-aminoanilino)benzonitrile
CID 104528321
3-ethyl-N-(4-methylphenyl)aniline
CID 139833776
3-amino-N-(3-ethylphenyl)-4-methylbenzamide
CID 16793362
1-[2-amino-4-(3-methylbut-2-enylamino)phenyl]ethanone
CID 106182629
1-[2-amino-4-(2-hydroxyethylamino)phenyl]ethanone
CID 104528257
5-amino-6-(3-ethylanilino)pyridine-2-carboxamide
CID 114405232

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(3-ethylanilino)phenyl]ethanone?
The IUPAC name of 1-[2-amino-4-(3-ethylanilino)phenyl]ethanone (CID 104528330) is 1-[2-amino-4-(3-ethylanilino)phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-(3-ethylanilino)phenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-(3-ethylanilino)phenyl]ethanone is CCc1cccc(Nc2ccc(C(C)=O)c(N)c2)c1.
What is the InChIKey of 1-[2-amino-4-(3-ethylanilino)phenyl]ethanone?
The InChIKey is GKBCYMVTKQWKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-3-12-5-4-6-13(9-12)18-14-7-8-15(11(2)19)16(17)10-14/h4-10,18H,3,17H2,1-2H3.
What are the key properties of 1-[2-amino-4-(3-ethylanilino)phenyl]ethanone?
1-[2-amino-4-(3-ethylanilino)phenyl]ethanone has a molecular weight of 254.33 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(3-ethylanilino)phenyl]ethanone is sourced from PubChem (CID 104528330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).