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

C15H15FN2O — CID 104528246

IUPAC1-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]ethanone
SMILESCC(=O)c1ccc(NCc2ccc(F)cc2)cc1N
InChIInChI=1S/C15H15FN2O/c1-10(19)14-7-6-13(8-15(14)17)18-9-11-2-4-12(16)5-3-11/h2-8,18H,9,17H2,1H3
InChIKeyAEACZUJAJARBKJ-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.22
Rot. Bonds4

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

1-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]ethanone (PubChem CID 104528246) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]ethanone
PubChem CID104528246
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name1-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]ethanone
SMILESCC(=O)c1ccc(NCc2ccc(F)cc2)cc1N
InChIInChI=1S/C15H15FN2O/c1-10(19)14-7-6-13(8-15(14)17)18-9-11-2-4-12(16)5-3-11/h2-8,18H,9,17H2,1H3
InChIKeyAEACZUJAJARBKJ-UHFFFAOYSA-N
XLogP3.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.22
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-ethylphenyl)methylamino]phenyl]ethanone
CID 106899320
1-[2-amino-4-[(2,5-difluorophenyl)methylamino]phenyl]ethanone
CID 104528863
1-[2-amino-4-(2-hydroxyethylamino)phenyl]ethanone
CID 104528257
1-[2-amino-4-(1,2-oxazol-5-ylmethylamino)phenyl]ethanone
CID 106414616
1-[2-amino-4-[(1-methylpyrazol-4-yl)methylamino]phenyl]ethanone
CID 104528491
2-fluoro-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine
CID 115123848
1-[2-amino-4-[2-(4-methoxyphenyl)ethylamino]phenyl]ethanone
CID 104528229
ethyl N-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]carbamate;hydrochloride
CID 10020110
2-amino-4-(benzylamino)benzoic acid
CID 104500082
1-[2-amino-4-(decylamino)phenyl]ethanone
CID 104529025
1-[2-amino-5-[(4-propan-2-ylphenyl)methylamino]phenyl]ethanone
CID 104612656
2-amino-4-[(4-fluoro-3,5-dimethylphenyl)methylamino]benzoic acid
CID 104500786

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]ethanone?
The IUPAC name of 1-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]ethanone (CID 104528246) is 1-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]ethanone is CC(=O)c1ccc(NCc2ccc(F)cc2)cc1N.
What is the InChIKey of 1-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]ethanone?
The InChIKey is AEACZUJAJARBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-10(19)14-7-6-13(8-15(14)17)18-9-11-2-4-12(16)5-3-11/h2-8,18H,9,17H2,1H3.
What are the key properties of 1-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]ethanone?
1-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]ethanone has a molecular weight of 258.30 g/mol, XLogP of 3.22, 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-[(4-fluorophenyl)methylamino]phenyl]ethanone is sourced from PubChem (CID 104528246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).