2-[cyclohexylmethyl(methyl)amino]-6-fluorobenzonitrile

C15H19FN2 — CID 112822772

IUPAC2-[cyclohexylmethyl(methyl)amino]-6-fluorobenzonitrile
SMILESCN(CC1CCCCC1)c1cccc(F)c1C#N
InChIInChI=1S/C15H19FN2/c1-18(11-12-6-3-2-4-7-12)15-9-5-8-14(16)13(15)10-17/h5,8-9,12H,2-4,6-7,11H2,1H3
InChIKeyACTWHKZKYDLVAB-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.71
Rot. Bonds3

About 2-[cyclohexylmethyl(methyl)amino]-6-fluorobenzonitrile

2-[cyclohexylmethyl(methyl)amino]-6-fluorobenzonitrile (PubChem CID 112822772) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-[cyclohexylmethyl(methyl)amino]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[cyclohexylmethyl(methyl)amino]-6-fluorobenzonitrile
PubChem CID112822772
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name2-[cyclohexylmethyl(methyl)amino]-6-fluorobenzonitrile
SMILESCN(CC1CCCCC1)c1cccc(F)c1C#N
InChIInChI=1S/C15H19FN2/c1-18(11-12-6-3-2-4-7-12)15-9-5-8-14(16)13(15)10-17/h5,8-9,12H,2-4,6-7,11H2,1H3
InChIKeyACTWHKZKYDLVAB-UHFFFAOYSA-N
XLogP3.71
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclohexylmethyl)-2,3-difluoro-N-methylaniline
CID 66962258
2-[cyclobutyl(methyl)amino]-6-fluorobenzonitrile
CID 115650123
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-6-fluorobenzonitrile
CID 79478979
2-[cyclopentyl(ethyl)amino]-6-fluorobenzonitrile
CID 78958816
2-[cyclohexylmethyl(methyl)amino]-6-fluorobenzenecarbothioamide
CID 79513340
2-[[cyclopropylmethyl(methyl)amino]methyl]-6-fluorobenzonitrile
CID 146425373
2-fluoro-6-[(4-fluorophenyl)methyl-methylamino]benzonitrile
CID 78911019
2-(2-cyano-3-fluoro-N-methylanilino)acetic acid
CID 79015712
2-chloro-6-[methyl(piperidin-4-ylmethyl)amino]benzonitrile
CID 79720085
2-[cyclobutylmethyl(methyl)amino]-6-fluorobenzenecarbothioamide
CID 79519658
2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]benzonitrile
CID 78911103
2-fluoro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]benzonitrile
CID 78911727

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexylmethyl(methyl)amino]-6-fluorobenzonitrile?
The IUPAC name of 2-[cyclohexylmethyl(methyl)amino]-6-fluorobenzonitrile (CID 112822772) is 2-[cyclohexylmethyl(methyl)amino]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[cyclohexylmethyl(methyl)amino]-6-fluorobenzonitrile?
The canonical SMILES for 2-[cyclohexylmethyl(methyl)amino]-6-fluorobenzonitrile is CN(CC1CCCCC1)c1cccc(F)c1C#N.
What is the InChIKey of 2-[cyclohexylmethyl(methyl)amino]-6-fluorobenzonitrile?
The InChIKey is ACTWHKZKYDLVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-18(11-12-6-3-2-4-7-12)15-9-5-8-14(16)13(15)10-17/h5,8-9,12H,2-4,6-7,11H2,1H3.
What are the key properties of 2-[cyclohexylmethyl(methyl)amino]-6-fluorobenzonitrile?
2-[cyclohexylmethyl(methyl)amino]-6-fluorobenzonitrile has a molecular weight of 246.33 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexylmethyl(methyl)amino]-6-fluorobenzonitrile is sourced from PubChem (CID 112822772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).