2-(2-fluoro-4-methylanilino)cyclohexane-1-carbonitrile

C14H17FN2 — CID 62743322

IUPAC2-(2-fluoro-4-methylanilino)cyclohexane-1-carbonitrile
SMILESCc1ccc(NC2CCCCC2C#N)c(F)c1
InChIInChI=1S/C14H17FN2/c1-10-6-7-14(12(15)8-10)17-13-5-3-2-4-11(13)9-16/h6-8,11,13,17H,2-5H2,1H3
InChIKeyZOZMGTFXFBELKC-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.63
Rot. Bonds2

About 2-(2-fluoro-4-methylanilino)cyclohexane-1-carbonitrile

2-(2-fluoro-4-methylanilino)cyclohexane-1-carbonitrile (PubChem CID 62743322) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-(2-fluoro-4-methylanilino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-(2-fluoro-4-methylanilino)cyclohexane-1-carbonitrile
PubChem CID62743322
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name2-(2-fluoro-4-methylanilino)cyclohexane-1-carbonitrile
SMILESCc1ccc(NC2CCCCC2C#N)c(F)c1
InChIInChI=1S/C14H17FN2/c1-10-6-7-14(12(15)8-10)17-13-5-3-2-4-11(13)9-16/h6-8,11,13,17H,2-5H2,1H3
InChIKeyZOZMGTFXFBELKC-UHFFFAOYSA-N
XLogP3.63
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluoro-4-methylanilino)cyclohexane-1-carbonitrile
CID 103585556
2-(2,5-difluoro-4-methylanilino)cyclopentane-1-carbonitrile
CID 103585701
N-(2-tert-butylcyclohexyl)-2-fluoro-4-methylaniline
CID 43114249
2-(4-chloro-2-methylanilino)cycloheptane-1-carbonitrile
CID 114255856
2-(2,4-dichloroanilino)cyclohexane-1-carbonitrile
CID 62742203
2-(2-methylanilino)cycloheptane-1-carbonitrile
CID 62743701
2-(4-fluoro-2-iodoanilino)cyclopentane-1-carbonitrile
CID 79769592
2-(4-bromo-2-methylanilino)cyclopentane-1-carbonitrile
CID 62742205
2-(2,3,5,6-tetrafluoroanilino)cycloheptane-1-carbonitrile
CID 107644498
2-fluoro-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79546014
(2R,3S)-N-(2-fluoro-4-methylphenyl)-2-methyloxolan-3-amine
CID 97358584
2-(4-chloro-2-iodoanilino)cyclopentane-1-carbonitrile
CID 107634993

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methylanilino)cyclohexane-1-carbonitrile?
The IUPAC name of 2-(2-fluoro-4-methylanilino)cyclohexane-1-carbonitrile (CID 62743322) is 2-(2-fluoro-4-methylanilino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-(2-fluoro-4-methylanilino)cyclohexane-1-carbonitrile?
The canonical SMILES for 2-(2-fluoro-4-methylanilino)cyclohexane-1-carbonitrile is Cc1ccc(NC2CCCCC2C#N)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methylanilino)cyclohexane-1-carbonitrile?
The InChIKey is ZOZMGTFXFBELKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-10-6-7-14(12(15)8-10)17-13-5-3-2-4-11(13)9-16/h6-8,11,13,17H,2-5H2,1H3.
What are the key properties of 2-(2-fluoro-4-methylanilino)cyclohexane-1-carbonitrile?
2-(2-fluoro-4-methylanilino)cyclohexane-1-carbonitrile has a molecular weight of 232.30 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methylanilino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 62743322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).