2-[1-(2-fluorophenyl)ethyl-methylamino]-3-methylbenzonitrile

C17H17FN2 — CID 107106853

IUPAC2-[1-(2-fluorophenyl)ethyl-methylamino]-3-methylbenzonitrile
SMILESCc1cccc(C#N)c1N(C)C(C)c1ccccc1F
InChIInChI=1S/C17H17FN2/c1-12-7-6-8-14(11-19)17(12)20(3)13(2)15-9-4-5-10-16(15)18/h4-10,13H,1-3H3
InChIKeyGLPPANXZUDPHKG-UHFFFAOYSA-N
MW268.34 g/mol
LogP4.20
Rot. Bonds3

About 2-[1-(2-fluorophenyl)ethyl-methylamino]-3-methylbenzonitrile

2-[1-(2-fluorophenyl)ethyl-methylamino]-3-methylbenzonitrile (PubChem CID 107106853) has the molecular formula C17H17FN2 and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)ethyl-methylamino]-3-methylbenzonitrile.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)ethyl-methylamino]-3-methylbenzonitrile
PubChem CID107106853
Molecular FormulaC17H17FN2
Molecular Weight268.34 g/mol
Exact Mass268.14
IUPAC Name2-[1-(2-fluorophenyl)ethyl-methylamino]-3-methylbenzonitrile
SMILESCc1cccc(C#N)c1N(C)C(C)c1ccccc1F
InChIInChI=1S/C17H17FN2/c1-12-7-6-8-14(11-19)17(12)20(3)13(2)15-9-4-5-10-16(15)18/h4-10,13H,1-3H3
InChIKeyGLPPANXZUDPHKG-UHFFFAOYSA-N
XLogP4.20
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-3-fluoro-4-[1-(2-fluorophenyl)ethyl-methylamino]benzonitrile
CID 107533639
3-methyl-2-[methyl(pentan-3-yl)amino]benzonitrile
CID 107106506
2-[1-cyclopropylethyl(methyl)amino]-3-methylbenzonitrile
CID 107106504
2-bromo-6-[1-(2-fluorophenyl)ethyl-methylamino]benzonitrile
CID 114880995
3-N-[1-(2-fluorophenyl)ethyl]-3-N,2-dimethylbenzene-1,3-diamine
CID 63062748
6-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine
CID 55140098
2-fluoro-3-[[1-(2-fluorophenyl)ethylamino]methyl]benzonitrile
CID 103912410
ethane;bis(2-propan-2-ylbenzonitrile)
CID 67297775
4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylbenzene-1,4-diamine
CID 55209659
4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzonitrile
CID 60964750
2-N-[1-(2-chlorophenyl)ethyl]-2-N,3-dimethylbenzene-1,2-diamine
CID 115550478
2-fluoro-6-propan-2-ylbenzonitrile
CID 59589078

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)ethyl-methylamino]-3-methylbenzonitrile?
The IUPAC name of 2-[1-(2-fluorophenyl)ethyl-methylamino]-3-methylbenzonitrile (CID 107106853) is 2-[1-(2-fluorophenyl)ethyl-methylamino]-3-methylbenzonitrile.
What is the SMILES notation for 2-[1-(2-fluorophenyl)ethyl-methylamino]-3-methylbenzonitrile?
The canonical SMILES for 2-[1-(2-fluorophenyl)ethyl-methylamino]-3-methylbenzonitrile is Cc1cccc(C#N)c1N(C)C(C)c1ccccc1F.
What is the InChIKey of 2-[1-(2-fluorophenyl)ethyl-methylamino]-3-methylbenzonitrile?
The InChIKey is GLPPANXZUDPHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2/c1-12-7-6-8-14(11-19)17(12)20(3)13(2)15-9-4-5-10-16(15)18/h4-10,13H,1-3H3.
What are the key properties of 2-[1-(2-fluorophenyl)ethyl-methylamino]-3-methylbenzonitrile?
2-[1-(2-fluorophenyl)ethyl-methylamino]-3-methylbenzonitrile has a molecular weight of 268.34 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)ethyl-methylamino]-3-methylbenzonitrile is sourced from PubChem (CID 107106853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).