4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzonitrile

C17H17FN2 — CID 60964750

IUPAC4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzonitrile
SMILESCC(c1ccccc1F)N(C)Cc1ccc(C#N)cc1
InChIInChI=1S/C17H17FN2/c1-13(16-5-3-4-6-17(16)18)20(2)12-15-9-7-14(11-19)8-10-15/h3-10,13H,12H2,1-2H3
InChIKeyHDXWWTQSSAFQEH-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.89
Rot. Bonds4

About 4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzonitrile

4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzonitrile (PubChem CID 60964750) has the molecular formula C17H17FN2 and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzonitrile
PubChem CID60964750
Molecular FormulaC17H17FN2
Molecular Weight268.34 g/mol
Exact Mass268.14
IUPAC Name4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzonitrile
SMILESCC(c1ccccc1F)N(C)Cc1ccc(C#N)cc1
InChIInChI=1S/C17H17FN2/c1-13(16-5-3-4-6-17(16)18)20(2)12-15-9-7-14(11-19)8-10-15/h3-10,13H,12H2,1-2H3
InChIKeyHDXWWTQSSAFQEH-UHFFFAOYSA-N
XLogP3.89
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[1-(2-methoxyphenyl)ethyl-methylamino]methyl]benzonitrile
CID 42957834
N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)-N-methylethanamine
CID 63457680
1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine
CID 62985100
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-1-(2-fluorophenyl)-N-methylethanamine
CID 107878398
4-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]benzonitrile
CID 39976766
1-(2-fluorophenyl)-N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]ethanamine
CID 62985620
1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980625
(2S)-N-[(4-cyanophenyl)methyl]-2-(dimethylamino)-2-(2-fluorophenyl)acetamide
CID 97129161
4-[[[(1R)-1-(2-fluorophenyl)ethyl]-methylamino]methyl]-1-methylpyridin-2-one
CID 94417275
4-[[methyl-[1-(1-phenyltetrazol-5-yl)ethyl]amino]methyl]benzonitrile
CID 87016428
[2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]phenyl]boronic acid
CID 62984689
5-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpentanenitrile
CID 65257421

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzonitrile?
The IUPAC name of 4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzonitrile (CID 60964750) is 4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzonitrile.
What is the SMILES notation for 4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzonitrile?
The canonical SMILES for 4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzonitrile is CC(c1ccccc1F)N(C)Cc1ccc(C#N)cc1.
What is the InChIKey of 4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzonitrile?
The InChIKey is HDXWWTQSSAFQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2/c1-13(16-5-3-4-6-17(16)18)20(2)12-15-9-7-14(11-19)8-10-15/h3-10,13H,12H2,1-2H3.
What are the key properties of 4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzonitrile?
4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzonitrile has a molecular weight of 268.34 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzonitrile is sourced from PubChem (CID 60964750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).