2-[1-(4-fluorophenyl)propan-2-ylamino]benzonitrile

C16H15FN2 — CID 60966388

IUPAC2-[1-(4-fluorophenyl)propan-2-ylamino]benzonitrile
SMILESCC(Cc1ccc(F)cc1)Nc1ccccc1C#N
InChIInChI=1S/C16H15FN2/c1-12(10-13-6-8-15(17)9-7-13)19-16-5-3-2-4-14(16)11-18/h2-9,12,19H,10H2,1H3
InChIKeyZMAWBEQYXVIOGV-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.74
Rot. Bonds4

About 2-[1-(4-fluorophenyl)propan-2-ylamino]benzonitrile

2-[1-(4-fluorophenyl)propan-2-ylamino]benzonitrile (PubChem CID 60966388) has the molecular formula C16H15FN2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)propan-2-ylamino]benzonitrile.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)propan-2-ylamino]benzonitrile
PubChem CID60966388
Molecular FormulaC16H15FN2
Molecular Weight254.31 g/mol
Exact Mass254.12
IUPAC Name2-[1-(4-fluorophenyl)propan-2-ylamino]benzonitrile
SMILESCC(Cc1ccc(F)cc1)Nc1ccccc1C#N
InChIInChI=1S/C16H15FN2/c1-12(10-13-6-8-15(17)9-7-13)19-16-5-3-2-4-14(16)11-18/h2-9,12,19H,10H2,1H3
InChIKeyZMAWBEQYXVIOGV-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butan-2-ylamino)benzonitrile
CID 43178639
2-chloro-4-[1-(4-fluorophenyl)propan-2-ylamino]benzonitrile
CID 63511677
2-(1-methoxypropan-2-ylamino)benzonitrile
CID 43180296
3-fluoro-1-N-[1-(4-fluorophenyl)propan-2-yl]benzene-1,2-diamine
CID 62996546
2-(heptan-2-ylamino)benzonitrile
CID 43100327
2-(1,1-difluoropropan-2-ylamino)benzonitrile
CID 102867821
2-(nonan-2-ylamino)benzonitrile
CID 43129839
3-fluoro-4-(1-phenylpropan-2-ylamino)benzonitrile
CID 55182013
3-methoxy-2-(1-phenylpropan-2-ylamino)benzonitrile
CID 107466700
2-[1-(3-fluorophenyl)propan-2-ylamino]-5-nitrobenzonitrile
CID 133307142
2-(1-morpholin-4-ylpropan-2-ylamino)benzonitrile
CID 60965677
3-N-[1-(4-fluorophenyl)propan-2-yl]-4-methylbenzene-1,3-diamine
CID 55140908

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)propan-2-ylamino]benzonitrile?
The IUPAC name of 2-[1-(4-fluorophenyl)propan-2-ylamino]benzonitrile (CID 60966388) is 2-[1-(4-fluorophenyl)propan-2-ylamino]benzonitrile.
What is the SMILES notation for 2-[1-(4-fluorophenyl)propan-2-ylamino]benzonitrile?
The canonical SMILES for 2-[1-(4-fluorophenyl)propan-2-ylamino]benzonitrile is CC(Cc1ccc(F)cc1)Nc1ccccc1C#N.
What is the InChIKey of 2-[1-(4-fluorophenyl)propan-2-ylamino]benzonitrile?
The InChIKey is ZMAWBEQYXVIOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2/c1-12(10-13-6-8-15(17)9-7-13)19-16-5-3-2-4-14(16)11-18/h2-9,12,19H,10H2,1H3.
What are the key properties of 2-[1-(4-fluorophenyl)propan-2-ylamino]benzonitrile?
2-[1-(4-fluorophenyl)propan-2-ylamino]benzonitrile has a molecular weight of 254.31 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)propan-2-ylamino]benzonitrile is sourced from PubChem (CID 60966388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).