2-(2,4-difluorophenyl)-2-[(2-methylcyclohexyl)amino]acetonitrile

C15H18F2N2 — CID 84817397

IUPAC2-(2,4-difluorophenyl)-2-[(2-methylcyclohexyl)amino]acetonitrile
SMILESCC1CCCCC1NC(C#N)c1ccc(F)cc1F
InChIInChI=1S/C15H18F2N2/c1-10-4-2-3-5-14(10)19-15(9-18)12-7-6-11(16)8-13(12)17/h6-8,10,14-15,19H,2-5H2,1H3
InChIKeyYDZDBRAMSBXZQH-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.70
Rot. Bonds3

About 2-(2,4-difluorophenyl)-2-[(2-methylcyclohexyl)amino]acetonitrile

2-(2,4-difluorophenyl)-2-[(2-methylcyclohexyl)amino]acetonitrile (PubChem CID 84817397) has the molecular formula C15H18F2N2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-2-[(2-methylcyclohexyl)amino]acetonitrile.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-2-[(2-methylcyclohexyl)amino]acetonitrile
PubChem CID84817397
Molecular FormulaC15H18F2N2
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-(2,4-difluorophenyl)-2-[(2-methylcyclohexyl)amino]acetonitrile
SMILESCC1CCCCC1NC(C#N)c1ccc(F)cc1F
InChIInChI=1S/C15H18F2N2/c1-10-4-2-3-5-14(10)19-15(9-18)12-7-6-11(16)8-13(12)17/h6-8,10,14-15,19H,2-5H2,1H3
InChIKeyYDZDBRAMSBXZQH-UHFFFAOYSA-N
XLogP3.70
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetonitrile
CID 54893948
2-(4-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetonitrile
CID 54894227
2-(cyclopentylamino)-2-(2,4,5-trifluorophenyl)acetonitrile
CID 114058035
N-[1-(2,4-difluorophenyl)ethyl]cyclooctanamine
CID 43080967
(2,4-difluorophenyl)-(2-methylcyclopentyl)methanamine
CID 107177000
1-(2,4-difluorophenyl)-N-[(2-methylcyclohexyl)methyl]ethanamine
CID 63453969
2,5-difluoro-N-(2-methylcyclopentyl)aniline
CID 65046744
N-[cyclopropyl-(4-fluorophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43763457
2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetonitrile
CID 84756935
2-(cyclopentylamino)-2-(2-fluoro-5-methylphenyl)acetonitrile
CID 114054084
N-[cyano-(2,4-difluorophenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111538103
2-(2,4-difluorophenyl)-N-(2-methylcyclohexyl)acetamide
CID 110488908

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-2-[(2-methylcyclohexyl)amino]acetonitrile?
The IUPAC name of 2-(2,4-difluorophenyl)-2-[(2-methylcyclohexyl)amino]acetonitrile (CID 84817397) is 2-(2,4-difluorophenyl)-2-[(2-methylcyclohexyl)amino]acetonitrile.
What is the SMILES notation for 2-(2,4-difluorophenyl)-2-[(2-methylcyclohexyl)amino]acetonitrile?
The canonical SMILES for 2-(2,4-difluorophenyl)-2-[(2-methylcyclohexyl)amino]acetonitrile is CC1CCCCC1NC(C#N)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-2-[(2-methylcyclohexyl)amino]acetonitrile?
The InChIKey is YDZDBRAMSBXZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2/c1-10-4-2-3-5-14(10)19-15(9-18)12-7-6-11(16)8-13(12)17/h6-8,10,14-15,19H,2-5H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-2-[(2-methylcyclohexyl)amino]acetonitrile?
2-(2,4-difluorophenyl)-2-[(2-methylcyclohexyl)amino]acetonitrile has a molecular weight of 264.32 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-2-[(2-methylcyclohexyl)amino]acetonitrile is sourced from PubChem (CID 84817397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).