3-fluoro-5-[methyl(2-phenylethyl)amino]benzonitrile

C16H15FN2 — CID 102816672

IUPAC3-fluoro-5-[methyl(2-phenylethyl)amino]benzonitrile
SMILESCN(CCc1ccccc1)c1cc(F)cc(C#N)c1
InChIInChI=1S/C16H15FN2/c1-19(8-7-13-5-3-2-4-6-13)16-10-14(12-18)9-15(17)11-16/h2-6,9-11H,7-8H2,1H3
InChIKeyCFFMQPWKFQKWCE-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.38
Rot. Bonds4

About 3-fluoro-5-[methyl(2-phenylethyl)amino]benzonitrile

3-fluoro-5-[methyl(2-phenylethyl)amino]benzonitrile (PubChem CID 102816672) has the molecular formula C16H15FN2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 3-fluoro-5-[methyl(2-phenylethyl)amino]benzonitrile.

Molecular Properties

Compound Name3-fluoro-5-[methyl(2-phenylethyl)amino]benzonitrile
PubChem CID102816672
Molecular FormulaC16H15FN2
Molecular Weight254.31 g/mol
Exact Mass254.12
IUPAC Name3-fluoro-5-[methyl(2-phenylethyl)amino]benzonitrile
SMILESCN(CCc1ccccc1)c1cc(F)cc(C#N)c1
InChIInChI=1S/C16H15FN2/c1-19(8-7-13-5-3-2-4-6-13)16-10-14(12-18)9-15(17)11-16/h2-6,9-11H,7-8H2,1H3
InChIKeyCFFMQPWKFQKWCE-UHFFFAOYSA-N
XLogP3.38
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-[methyl(2-phenylethyl)amino]benzonitrile
CID 115367607
3-[methyl(4-phenylbutyl)amino]benzonitrile
CID 114333608
3-fluoro-5-[methyl(thiophen-2-ylmethyl)amino]benzonitrile
CID 102815367
3-[[methyl(2-phenylethyl)amino]methyl]benzonitrile
CID 5253461
3-methyl-4-[[methyl(2-phenylethyl)amino]methyl]benzonitrile
CID 114481231
5-[methyl(2-phenylethyl)amino]pyrazine-2-carbonitrile
CID 65487650
3-fluoro-5-[2-hydroxyethyl(propan-2-yl)amino]benzonitrile
CID 102815857
3-N-benzyl-5-fluoro-3-N-methylbenzene-1,3-diamine
CID 60875163
N-methyl-N-(2-phenylethyl)-4-(trifluoromethoxy)aniline
CID 91523939
4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-methylaniline
CID 117041691
4-[methyl(2-phenylethyl)amino]benzaldehyde
CID 65487426
4-[2-(4-cyano-N-methylanilino)ethyl-methylamino]benzonitrile
CID 46837999

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[methyl(2-phenylethyl)amino]benzonitrile?
The IUPAC name of 3-fluoro-5-[methyl(2-phenylethyl)amino]benzonitrile (CID 102816672) is 3-fluoro-5-[methyl(2-phenylethyl)amino]benzonitrile.
What is the SMILES notation for 3-fluoro-5-[methyl(2-phenylethyl)amino]benzonitrile?
The canonical SMILES for 3-fluoro-5-[methyl(2-phenylethyl)amino]benzonitrile is CN(CCc1ccccc1)c1cc(F)cc(C#N)c1.
What is the InChIKey of 3-fluoro-5-[methyl(2-phenylethyl)amino]benzonitrile?
The InChIKey is CFFMQPWKFQKWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2/c1-19(8-7-13-5-3-2-4-6-13)16-10-14(12-18)9-15(17)11-16/h2-6,9-11H,7-8H2,1H3.
What are the key properties of 3-fluoro-5-[methyl(2-phenylethyl)amino]benzonitrile?
3-fluoro-5-[methyl(2-phenylethyl)amino]benzonitrile has a molecular weight of 254.31 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[methyl(2-phenylethyl)amino]benzonitrile is sourced from PubChem (CID 102816672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).