3-[(3-fluorophenyl)methylamino]-2-phenylpropanenitrile

C16H15FN2 — CID 64537208

IUPAC3-[(3-fluorophenyl)methylamino]-2-phenylpropanenitrile
SMILESN#CC(CNCc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C16H15FN2/c17-16-8-4-5-13(9-16)11-19-12-15(10-18)14-6-2-1-3-7-14/h1-9,15,19H,11-12H2
InChIKeyWCCMWXCTZVHXOI-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.22
Rot. Bonds5

About 3-[(3-fluorophenyl)methylamino]-2-phenylpropanenitrile

3-[(3-fluorophenyl)methylamino]-2-phenylpropanenitrile (PubChem CID 64537208) has the molecular formula C16H15FN2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methylamino]-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methylamino]-2-phenylpropanenitrile
PubChem CID64537208
Molecular FormulaC16H15FN2
Molecular Weight254.31 g/mol
Exact Mass254.12
IUPAC Name3-[(3-fluorophenyl)methylamino]-2-phenylpropanenitrile
SMILESN#CC(CNCc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C16H15FN2/c17-16-8-4-5-13(9-16)11-19-12-15(10-18)14-6-2-1-3-7-14/h1-9,15,19H,11-12H2
InChIKeyWCCMWXCTZVHXOI-UHFFFAOYSA-N
XLogP3.22
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-phenylpropanenitrile
CID 81365300
3-[2-(4-fluorophenyl)ethylamino]-2-phenylpropanenitrile
CID 64535575
2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine
CID 60921890
2-(benzylamino)-2-(3-fluorophenyl)acetonitrile
CID 10823953
3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzonitrile
CID 60918684
2-(4-chlorophenyl)-3-(3-fluorophenyl)propanenitrile
CID 82140421
3-[(6-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile
CID 64536838
3-[[2-(methoxymethyl)phenyl]methylamino]-2-phenylpropanenitrile
CID 64536413
3-[(5-ethylthiophen-2-yl)methylamino]-2-phenylpropanenitrile
CID 106011074
2-[1-[[(3-fluorophenyl)methylamino]methyl]cyclopropyl]acetonitrile
CID 65481545
N-[(3-fluorophenyl)methyl]-3-(1-phenylethoxy)propan-1-amine
CID 78816669
N-[(3-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757618

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methylamino]-2-phenylpropanenitrile?
The IUPAC name of 3-[(3-fluorophenyl)methylamino]-2-phenylpropanenitrile (CID 64537208) is 3-[(3-fluorophenyl)methylamino]-2-phenylpropanenitrile.
What is the SMILES notation for 3-[(3-fluorophenyl)methylamino]-2-phenylpropanenitrile?
The canonical SMILES for 3-[(3-fluorophenyl)methylamino]-2-phenylpropanenitrile is N#CC(CNCc1cccc(F)c1)c1ccccc1.
What is the InChIKey of 3-[(3-fluorophenyl)methylamino]-2-phenylpropanenitrile?
The InChIKey is WCCMWXCTZVHXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2/c17-16-8-4-5-13(9-16)11-19-12-15(10-18)14-6-2-1-3-7-14/h1-9,15,19H,11-12H2.
What are the key properties of 3-[(3-fluorophenyl)methylamino]-2-phenylpropanenitrile?
3-[(3-fluorophenyl)methylamino]-2-phenylpropanenitrile has a molecular weight of 254.31 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methylamino]-2-phenylpropanenitrile is sourced from PubChem (CID 64537208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).