2-[(2,5-dimethylcyclohexyl)amino]-6-fluorobenzonitrile

C15H19FN2 — CID 64762196

IUPAC2-[(2,5-dimethylcyclohexyl)amino]-6-fluorobenzonitrile
SMILESCC1CCC(C)C(Nc2cccc(F)c2C#N)C1
InChIInChI=1S/C15H19FN2/c1-10-6-7-11(2)15(8-10)18-14-5-3-4-13(16)12(14)9-17/h3-5,10-11,15,18H,6-8H2,1-2H3
InChIKeyMVIPTEKQNJJGMM-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.93
Rot. Bonds2

About 2-[(2,5-dimethylcyclohexyl)amino]-6-fluorobenzonitrile

2-[(2,5-dimethylcyclohexyl)amino]-6-fluorobenzonitrile (PubChem CID 64762196) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-[(2,5-dimethylcyclohexyl)amino]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(2,5-dimethylcyclohexyl)amino]-6-fluorobenzonitrile
PubChem CID64762196
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name2-[(2,5-dimethylcyclohexyl)amino]-6-fluorobenzonitrile
SMILESCC1CCC(C)C(Nc2cccc(F)c2C#N)C1
InChIInChI=1S/C15H19FN2/c1-10-6-7-11(2)15(8-10)18-14-5-3-4-13(16)12(14)9-17/h3-5,10-11,15,18H,6-8H2,1-2H3
InChIKeyMVIPTEKQNJJGMM-UHFFFAOYSA-N
XLogP3.93
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dimethylcyclohexyl)naphthalen-1-amine
CID 64776146
2-fluoro-6-[[(3S,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]benzonitrile
CID 98768835
2-fluoro-6-[[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]benzonitrile
CID 95980421
2-[(3,3-dimethylcyclopentyl)amino]-6-fluorobenzonitrile
CID 80693483
2-fluoro-6-[(1-methylpyrrolidin-3-yl)amino]benzonitrile
CID 62733839
N-(2,5-dimethylcyclohexyl)-2-fluoro-4-nitroaniline
CID 64762309
N-(2,5-dimethylcyclohexyl)-3,4-difluoroaniline
CID 64776575
2-fluoro-6-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzonitrile
CID 43400425
N-(2,5-dimethylcyclohexyl)-4-fluoro-2-iodoaniline
CID 79769375
2-fluoro-6-(oxan-3-ylamino)benzonitrile
CID 63611402
4-[(2,4-dimethylcyclohexyl)amino]-3-fluorobenzonitrile
CID 63996520
N-(2,5-dimethylcyclohexyl)-2-methylquinolin-8-amine
CID 64762321

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylcyclohexyl)amino]-6-fluorobenzonitrile?
The IUPAC name of 2-[(2,5-dimethylcyclohexyl)amino]-6-fluorobenzonitrile (CID 64762196) is 2-[(2,5-dimethylcyclohexyl)amino]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[(2,5-dimethylcyclohexyl)amino]-6-fluorobenzonitrile?
The canonical SMILES for 2-[(2,5-dimethylcyclohexyl)amino]-6-fluorobenzonitrile is CC1CCC(C)C(Nc2cccc(F)c2C#N)C1.
What is the InChIKey of 2-[(2,5-dimethylcyclohexyl)amino]-6-fluorobenzonitrile?
The InChIKey is MVIPTEKQNJJGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-10-6-7-11(2)15(8-10)18-14-5-3-4-13(16)12(14)9-17/h3-5,10-11,15,18H,6-8H2,1-2H3.
What are the key properties of 2-[(2,5-dimethylcyclohexyl)amino]-6-fluorobenzonitrile?
2-[(2,5-dimethylcyclohexyl)amino]-6-fluorobenzonitrile has a molecular weight of 246.33 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylcyclohexyl)amino]-6-fluorobenzonitrile is sourced from PubChem (CID 64762196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).