2-fluoro-6-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzonitrile

C18H25FN2 — CID 43400425

IUPAC2-fluoro-6-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzonitrile
SMILESCCC(C)(C)C1CCC(Nc2cccc(F)c2C#N)CC1
InChIInChI=1S/C18H25FN2/c1-4-18(2,3)13-8-10-14(11-9-13)21-17-7-5-6-16(19)15(17)12-20/h5-7,13-14,21H,4,8-11H2,1-3H3
InChIKeyIXFRJKAZFBXORI-UHFFFAOYSA-N
MW288.41 g/mol
LogP5.10
Rot. Bonds4

About 2-fluoro-6-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzonitrile

2-fluoro-6-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzonitrile (PubChem CID 43400425) has the molecular formula C18H25FN2 and a molecular weight of 288.41 g/mol. Its IUPAC name is 2-fluoro-6-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzonitrile
PubChem CID43400425
Molecular FormulaC18H25FN2
Molecular Weight288.41 g/mol
Exact Mass288.20
IUPAC Name2-fluoro-6-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzonitrile
SMILESCCC(C)(C)C1CCC(Nc2cccc(F)c2C#N)CC1
InChIInChI=1S/C18H25FN2/c1-4-18(2,3)13-8-10-14(11-9-13)21-17-7-5-6-16(19)15(17)12-20/h5-7,13-14,21H,4,8-11H2,1-3H3
InChIKeyIXFRJKAZFBXORI-UHFFFAOYSA-N
XLogP5.10
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.41
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-fluoro-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline
CID 63422219
2-fluoro-5-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzonitrile
CID 63476589
2-[(1-ethylpiperidin-3-yl)amino]-6-fluorobenzonitrile
CID 78915990
2,5-difluoro-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline
CID 103584995
2-[(3,3-dimethylcyclopentyl)amino]-6-fluorobenzonitrile
CID 80693483
2-fluoro-6-[(1-methylpyrrolidin-3-yl)amino]benzonitrile
CID 62733839
2-fluoro-6-(oxan-3-ylamino)benzonitrile
CID 63611402
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-nitroaniline
CID 43225012
2-fluoro-6-(octylamino)benzonitrile
CID 43580179
2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzoic acid
CID 43322139
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2,1,3-benzoselenadiazol-4-amine
CID 43715873
2-fluoro-6-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]amino]benzonitrile
CID 133311635

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzonitrile?
The IUPAC name of 2-fluoro-6-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzonitrile (CID 43400425) is 2-fluoro-6-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzonitrile?
The canonical SMILES for 2-fluoro-6-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzonitrile is CCC(C)(C)C1CCC(Nc2cccc(F)c2C#N)CC1.
What is the InChIKey of 2-fluoro-6-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzonitrile?
The InChIKey is IXFRJKAZFBXORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2/c1-4-18(2,3)13-8-10-14(11-9-13)21-17-7-5-6-16(19)15(17)12-20/h5-7,13-14,21H,4,8-11H2,1-3H3.
What are the key properties of 2-fluoro-6-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzonitrile?
2-fluoro-6-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzonitrile has a molecular weight of 288.41 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzonitrile is sourced from PubChem (CID 43400425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).