2-[(4-fluorophenyl)methylamino]-2-(2-methylphenyl)acetonitrile

C16H15FN2 — CID 82019693

IUPAC2-[(4-fluorophenyl)methylamino]-2-(2-methylphenyl)acetonitrile
SMILESCc1ccccc1C(C#N)NCc1ccc(F)cc1
InChIInChI=1S/C16H15FN2/c1-12-4-2-3-5-15(12)16(10-18)19-11-13-6-8-14(17)9-7-13/h2-9,16,19H,11H2,1H3
InChIKeyYWGAVDMSAUUSGQ-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.49
Rot. Bonds4

About 2-[(4-fluorophenyl)methylamino]-2-(2-methylphenyl)acetonitrile

2-[(4-fluorophenyl)methylamino]-2-(2-methylphenyl)acetonitrile (PubChem CID 82019693) has the molecular formula C16H15FN2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylamino]-2-(2-methylphenyl)acetonitrile.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylamino]-2-(2-methylphenyl)acetonitrile
PubChem CID82019693
Molecular FormulaC16H15FN2
Molecular Weight254.31 g/mol
Exact Mass254.12
IUPAC Name2-[(4-fluorophenyl)methylamino]-2-(2-methylphenyl)acetonitrile
SMILESCc1ccccc1C(C#N)NCc1ccc(F)cc1
InChIInChI=1S/C16H15FN2/c1-12-4-2-3-5-15(12)16(10-18)19-11-13-6-8-14(17)9-7-13/h2-9,16,19H,11H2,1H3
InChIKeyYWGAVDMSAUUSGQ-UHFFFAOYSA-N
XLogP3.49
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzylamino)-2-(2-methylphenyl)acetonitrile
CID 10490003
N-[cyano-(2-methylphenyl)methyl]-4-fluorobenzamide
CID 82123285
2-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)acetonitrile
CID 82019785
4-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]benzonitrile
CID 28652871
3-[[cyano-(2-methylphenyl)methyl]amino]propanoic acid
CID 84817498
2-(benzylamino)-2-(5-bromo-2-fluorophenyl)acetonitrile
CID 54886867
2-(2-fluorophenyl)-2-[(2-fluorophenyl)methylamino]acetonitrile
CID 82019759
2-(benzylamino)-2-(4-methylphenyl)acetonitrile
CID 15852212
ethyl 2-[[cyano-(2-methylphenyl)methyl]amino]acetate
CID 112500735
2-(benzylamino)-2-(3-fluorophenyl)acetonitrile
CID 10823953
(2S)-2-(benzylamino)-2-phenylacetonitrile
CID 10619409
2-(3-azidopropylamino)-2-(2-methylphenyl)acetonitrile
CID 66189672

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylamino]-2-(2-methylphenyl)acetonitrile?
The IUPAC name of 2-[(4-fluorophenyl)methylamino]-2-(2-methylphenyl)acetonitrile (CID 82019693) is 2-[(4-fluorophenyl)methylamino]-2-(2-methylphenyl)acetonitrile.
What is the SMILES notation for 2-[(4-fluorophenyl)methylamino]-2-(2-methylphenyl)acetonitrile?
The canonical SMILES for 2-[(4-fluorophenyl)methylamino]-2-(2-methylphenyl)acetonitrile is Cc1ccccc1C(C#N)NCc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylamino]-2-(2-methylphenyl)acetonitrile?
The InChIKey is YWGAVDMSAUUSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2/c1-12-4-2-3-5-15(12)16(10-18)19-11-13-6-8-14(17)9-7-13/h2-9,16,19H,11H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methylamino]-2-(2-methylphenyl)acetonitrile?
2-[(4-fluorophenyl)methylamino]-2-(2-methylphenyl)acetonitrile has a molecular weight of 254.31 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylamino]-2-(2-methylphenyl)acetonitrile is sourced from PubChem (CID 82019693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).