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

C16H17FN2O — CID 104528417

IUPAC1-[2-amino-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanone
SMILESCC(=O)c1ccc(N(C)Cc2ccc(F)cc2)cc1N
InChIInChI=1S/C16H17FN2O/c1-11(20)15-8-7-14(9-16(15)18)19(2)10-12-3-5-13(17)6-4-12/h3-9H,10,18H2,1-2H3
InChIKeyIOXAWPWNYCFXJU-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.25
Rot. Bonds4

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

1-[2-amino-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanone (PubChem CID 104528417) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-[2-amino-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanone
PubChem CID104528417
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name1-[2-amino-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanone
SMILESCC(=O)c1ccc(N(C)Cc2ccc(F)cc2)cc1N
InChIInChI=1S/C16H17FN2O/c1-11(20)15-8-7-14(9-16(15)18)19(2)10-12-3-5-13(17)6-4-12/h3-9H,10,18H2,1-2H3
InChIKeyIOXAWPWNYCFXJU-UHFFFAOYSA-N
XLogP3.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.25
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-[2-amino-4-[(3-chlorophenyl)methyl-methylamino]phenyl]ethanone
CID 104528496
1-[2-amino-5-[(4-ethylphenyl)methyl-methylamino]phenyl]ethanone
CID 104612404
2-chloro-4-[(4-fluorophenyl)methyl-methylamino]benzenecarbothioamide
CID 62948121
1-[2-amino-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanone
CID 104528407
2-(4-acetyl-3-amino-N-methylanilino)-N-methylacetamide
CID 104528378
1-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]ethanone
CID 104528246
1-[2-amino-4-[ethyl(pyridin-4-ylmethyl)amino]phenyl]ethanone
CID 104528528
3-amino-2-[(4-fluorophenyl)methyl-methylamino]benzoic acid
CID 115934268
2-amino-4-(N-ethyl-4-fluoroanilino)benzoic acid
CID 104500531
1-[2-amino-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanone
CID 104528702
1-[2-amino-4-(4-fluorophenyl)sulfanylphenyl]ethanone
CID 113423330
1-[2-amino-4-[bis(2-methoxyethyl)amino]phenyl]ethanone
CID 104528435

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanone?
The IUPAC name of 1-[2-amino-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanone (CID 104528417) is 1-[2-amino-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanone is CC(=O)c1ccc(N(C)Cc2ccc(F)cc2)cc1N.
What is the InChIKey of 1-[2-amino-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanone?
The InChIKey is IOXAWPWNYCFXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11(20)15-8-7-14(9-16(15)18)19(2)10-12-3-5-13(17)6-4-12/h3-9H,10,18H2,1-2H3.
What are the key properties of 1-[2-amino-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanone?
1-[2-amino-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanone has a molecular weight of 272.32 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanone is sourced from PubChem (CID 104528417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).