2-[[3-(2-chlorophenyl)cyclobutyl]amino]-6-methylbenzonitrile

C18H17ClN2 — CID 107803326

IUPAC2-[[3-(2-chlorophenyl)cyclobutyl]amino]-6-methylbenzonitrile
SMILESCc1cccc(NC2CC(c3ccccc3Cl)C2)c1C#N
InChIInChI=1S/C18H17ClN2/c1-12-5-4-8-18(16(12)11-20)21-14-9-13(10-14)15-6-2-3-7-17(15)19/h2-8,13-14,21H,9-10H2,1H3
InChIKeyNLYBJTZTKOGZIM-UHFFFAOYSA-N
MW296.80 g/mol
LogP4.88
Rot. Bonds3

About 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-6-methylbenzonitrile

2-[[3-(2-chlorophenyl)cyclobutyl]amino]-6-methylbenzonitrile (PubChem CID 107803326) has the molecular formula C18H17ClN2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-6-methylbenzonitrile.

Molecular Properties

Compound Name2-[[3-(2-chlorophenyl)cyclobutyl]amino]-6-methylbenzonitrile
PubChem CID107803326
Molecular FormulaC18H17ClN2
Molecular Weight296.80 g/mol
Exact Mass296.11
IUPAC Name2-[[3-(2-chlorophenyl)cyclobutyl]amino]-6-methylbenzonitrile
SMILESCc1cccc(NC2CC(c3ccccc3Cl)C2)c1C#N
InChIInChI=1S/C18H17ClN2/c1-12-5-4-8-18(16(12)11-20)21-14-9-13(10-14)15-6-2-3-7-17(15)19/h2-8,13-14,21H,9-10H2,1H3
InChIKeyNLYBJTZTKOGZIM-UHFFFAOYSA-N
XLogP4.88
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-6-[[3-(2-methylphenyl)cyclobutyl]amino]benzonitrile
CID 107803329
3-chloro-2-fluoro-N-[3-(2-methylphenyl)cyclobutyl]aniline
CID 43635005
4-chloro-2-[[3-(2-chlorophenyl)cyclobutyl]amino]benzonitrile
CID 43681675
5-bromo-2-[[3-(2-chlorophenyl)cyclobutyl]amino]benzonitrile
CID 82692709
2-methyl-6-(thian-4-ylamino)benzonitrile
CID 107803426
2-methyl-N-[3-(2-methylphenyl)cyclobutyl]aniline
CID 43634045
N-[3-(2-chlorophenyl)cyclobutyl]-3-methylaniline
CID 43632546
2-methyl-6-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile
CID 107803202
2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-6-methylbenzonitrile
CID 107803622
2-methyl-6-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)benzonitrile
CID 107803389
2-[(3-methoxycyclohexyl)amino]-6-methylbenzonitrile
CID 114002933
2-chloro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline
CID 43633569

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-6-methylbenzonitrile?
The IUPAC name of 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-6-methylbenzonitrile (CID 107803326) is 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-6-methylbenzonitrile.
What is the SMILES notation for 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-6-methylbenzonitrile?
The canonical SMILES for 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-6-methylbenzonitrile is Cc1cccc(NC2CC(c3ccccc3Cl)C2)c1C#N.
What is the InChIKey of 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-6-methylbenzonitrile?
The InChIKey is NLYBJTZTKOGZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2/c1-12-5-4-8-18(16(12)11-20)21-14-9-13(10-14)15-6-2-3-7-17(15)19/h2-8,13-14,21H,9-10H2,1H3.
What are the key properties of 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-6-methylbenzonitrile?
2-[[3-(2-chlorophenyl)cyclobutyl]amino]-6-methylbenzonitrile has a molecular weight of 296.80 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-6-methylbenzonitrile is sourced from PubChem (CID 107803326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).