1-[2-amino-4-[(4-ethylphenyl)methylamino]phenyl]ethanone

C17H20N2O — CID 106899320

IUPAC1-[2-amino-4-[(4-ethylphenyl)methylamino]phenyl]ethanone
SMILESCCc1ccc(CNc2ccc(C(C)=O)c(N)c2)cc1
InChIInChI=1S/C17H20N2O/c1-3-13-4-6-14(7-5-13)11-19-15-8-9-16(12(2)20)17(18)10-15/h4-10,19H,3,11,18H2,1-2H3
InChIKeyQFQFEXNELSKWTA-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.65
Rot. Bonds5

About 1-[2-amino-4-[(4-ethylphenyl)methylamino]phenyl]ethanone

1-[2-amino-4-[(4-ethylphenyl)methylamino]phenyl]ethanone (PubChem CID 106899320) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[2-amino-4-[(4-ethylphenyl)methylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-[(4-ethylphenyl)methylamino]phenyl]ethanone
PubChem CID106899320
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-[2-amino-4-[(4-ethylphenyl)methylamino]phenyl]ethanone
SMILESCCc1ccc(CNc2ccc(C(C)=O)c(N)c2)cc1
InChIInChI=1S/C17H20N2O/c1-3-13-4-6-14(7-5-13)11-19-15-8-9-16(12(2)20)17(18)10-15/h4-10,19H,3,11,18H2,1-2H3
InChIKeyQFQFEXNELSKWTA-UHFFFAOYSA-N
XLogP3.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.65
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-[(4-fluorophenyl)methylamino]phenyl]ethanone
CID 104528246
1-[2-amino-4-[(1-methylpyrazol-4-yl)methylamino]phenyl]ethanone
CID 104528491
1-[2-amino-4-(3-ethylanilino)phenyl]ethanone
CID 104528330
1-[2-amino-4-(2-hydroxyethylamino)phenyl]ethanone
CID 104528257
1-[2-amino-4-[(2,5-difluorophenyl)methylamino]phenyl]ethanone
CID 104528863
2-amino-4-(benzylamino)benzoic acid
CID 104500082
1-[2-amino-4-(decylamino)phenyl]ethanone
CID 104529025
ethyl 2-(4-acetyl-3-aminoanilino)acetate
CID 104528454
1-[2-amino-4-(1,2-oxazol-5-ylmethylamino)phenyl]ethanone
CID 106414616
1-[2-amino-5-[(4-propan-2-ylphenyl)methylamino]phenyl]ethanone
CID 104612656
1-[2-amino-4-(3-methylbut-2-enylamino)phenyl]ethanone
CID 106182629
2-amino-5-[(4-ethylphenyl)methylamino]-3-methylbenzoic acid
CID 106899340

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-[(4-ethylphenyl)methylamino]phenyl]ethanone?
The IUPAC name of 1-[2-amino-4-[(4-ethylphenyl)methylamino]phenyl]ethanone (CID 106899320) is 1-[2-amino-4-[(4-ethylphenyl)methylamino]phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-[(4-ethylphenyl)methylamino]phenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-[(4-ethylphenyl)methylamino]phenyl]ethanone is CCc1ccc(CNc2ccc(C(C)=O)c(N)c2)cc1.
What is the InChIKey of 1-[2-amino-4-[(4-ethylphenyl)methylamino]phenyl]ethanone?
The InChIKey is QFQFEXNELSKWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-13-4-6-14(7-5-13)11-19-15-8-9-16(12(2)20)17(18)10-15/h4-10,19H,3,11,18H2,1-2H3.
What are the key properties of 1-[2-amino-4-[(4-ethylphenyl)methylamino]phenyl]ethanone?
1-[2-amino-4-[(4-ethylphenyl)methylamino]phenyl]ethanone has a molecular weight of 268.36 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-[(4-ethylphenyl)methylamino]phenyl]ethanone is sourced from PubChem (CID 106899320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).