2-fluoro-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile

C17H23FN2 — CID 63477106

IUPAC2-fluoro-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile
SMILESCC1CCC(C(C)C)C(Nc2ccc(F)c(C#N)c2)C1
InChIInChI=1S/C17H23FN2/c1-11(2)15-6-4-12(3)8-17(15)20-14-5-7-16(18)13(9-14)10-19/h5,7,9,11-12,15,17,20H,4,6,8H2,1-3H3
InChIKeyVSHNQPSFIODOIN-UHFFFAOYSA-N
MW274.38 g/mol
LogP4.57
Rot. Bonds3

About 2-fluoro-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile

2-fluoro-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile (PubChem CID 63477106) has the molecular formula C17H23FN2 and a molecular weight of 274.38 g/mol. Its IUPAC name is 2-fluoro-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile
PubChem CID63477106
Molecular FormulaC17H23FN2
Molecular Weight274.38 g/mol
Exact Mass274.18
IUPAC Name2-fluoro-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile
SMILESCC1CCC(C(C)C)C(Nc2ccc(F)c(C#N)c2)C1
InChIInChI=1S/C17H23FN2/c1-11(2)15-6-4-12(3)8-17(15)20-14-5-7-16(18)13(9-14)10-19/h5,7,9,11-12,15,17,20H,4,6,8H2,1-3H3
InChIKeyVSHNQPSFIODOIN-UHFFFAOYSA-N
XLogP4.57
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile
CID 43686839
2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile
CID 43102820
2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)-5-nitroaniline
CID 43719065
3-fluoro-5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)aniline
CID 79055587
2-fluoro-5-[(2-methylthian-3-yl)amino]benzonitrile
CID 79957768
4-fluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzoic acid
CID 43728096
N-(5-methyl-2-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63419352
N-(5-methyl-2-propan-2-ylcyclohexyl)quinolin-6-amine
CID 63476993
5-[(2,6-dimethylcyclohexyl)amino]-2-fluorobenzonitrile
CID 63476932
2-chloro-1-N,1-N-dimethyl-4-N-(5-methyl-2-propan-2-ylcyclohexyl)benzene-1,4-diamine
CID 63451308
3-chloro-4-methoxy-N-(5-methyl-2-propan-2-ylcyclohexyl)aniline
CID 43099443
2-fluoro-5-(8-tricyclo[5.2.1.02,6]decanylamino)benzonitrile
CID 63477105

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile?
The IUPAC name of 2-fluoro-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile (CID 63477106) is 2-fluoro-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile?
The canonical SMILES for 2-fluoro-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile is CC1CCC(C(C)C)C(Nc2ccc(F)c(C#N)c2)C1.
What is the InChIKey of 2-fluoro-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile?
The InChIKey is VSHNQPSFIODOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2/c1-11(2)15-6-4-12(3)8-17(15)20-14-5-7-16(18)13(9-14)10-19/h5,7,9,11-12,15,17,20H,4,6,8H2,1-3H3.
What are the key properties of 2-fluoro-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile?
2-fluoro-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile has a molecular weight of 274.38 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile is sourced from PubChem (CID 63477106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).