2-methyl-6-[[3-(2-methylphenyl)cyclobutyl]amino]benzonitrile

C19H20N2 — CID 107803329

IUPAC2-methyl-6-[[3-(2-methylphenyl)cyclobutyl]amino]benzonitrile
SMILESCc1ccccc1C1CC(Nc2cccc(C)c2C#N)C1
InChIInChI=1S/C19H20N2/c1-13-6-3-4-8-17(13)15-10-16(11-15)21-19-9-5-7-14(2)18(19)12-20/h3-9,15-16,21H,10-11H2,1-2H3
InChIKeyUXGHFJYCDQRLAY-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.53
Rot. Bonds3

About 2-methyl-6-[[3-(2-methylphenyl)cyclobutyl]amino]benzonitrile

2-methyl-6-[[3-(2-methylphenyl)cyclobutyl]amino]benzonitrile (PubChem CID 107803329) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-methyl-6-[[3-(2-methylphenyl)cyclobutyl]amino]benzonitrile.

Molecular Properties

Compound Name2-methyl-6-[[3-(2-methylphenyl)cyclobutyl]amino]benzonitrile
PubChem CID107803329
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name2-methyl-6-[[3-(2-methylphenyl)cyclobutyl]amino]benzonitrile
SMILESCc1ccccc1C1CC(Nc2cccc(C)c2C#N)C1
InChIInChI=1S/C19H20N2/c1-13-6-3-4-8-17(13)15-10-16(11-15)21-19-9-5-7-14(2)18(19)12-20/h3-9,15-16,21H,10-11H2,1-2H3
InChIKeyUXGHFJYCDQRLAY-UHFFFAOYSA-N
XLogP4.53
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-(2-chlorophenyl)cyclobutyl]amino]-6-methylbenzonitrile
CID 107803326
2-methyl-N-[3-(2-methylphenyl)cyclobutyl]aniline
CID 43634045
2-methyl-6-(thian-4-ylamino)benzonitrile
CID 107803426
5-fluoro-2-[[3-(2-methylphenyl)cyclobutyl]amino]benzonitrile
CID 79034251
2-methyl-6-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile
CID 107803202
3-chloro-2-fluoro-N-[3-(2-methylphenyl)cyclobutyl]aniline
CID 43635005
2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-6-methylbenzonitrile
CID 107803622
N-methyl-3-(2-methylphenyl)cyclobutan-1-amine
CID 43632423
2-methyl-6-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)benzonitrile
CID 107803389
2-[(3-methoxycyclohexyl)amino]-6-methylbenzonitrile
CID 114002933
N-[3-(2-methylphenyl)cyclobutyl]-2-propylaniline
CID 43687449
5-chloro-2-fluoro-N-[3-(2-methylphenyl)cyclobutyl]aniline
CID 43635417

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[3-(2-methylphenyl)cyclobutyl]amino]benzonitrile?
The IUPAC name of 2-methyl-6-[[3-(2-methylphenyl)cyclobutyl]amino]benzonitrile (CID 107803329) is 2-methyl-6-[[3-(2-methylphenyl)cyclobutyl]amino]benzonitrile.
What is the SMILES notation for 2-methyl-6-[[3-(2-methylphenyl)cyclobutyl]amino]benzonitrile?
The canonical SMILES for 2-methyl-6-[[3-(2-methylphenyl)cyclobutyl]amino]benzonitrile is Cc1ccccc1C1CC(Nc2cccc(C)c2C#N)C1.
What is the InChIKey of 2-methyl-6-[[3-(2-methylphenyl)cyclobutyl]amino]benzonitrile?
The InChIKey is UXGHFJYCDQRLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-13-6-3-4-8-17(13)15-10-16(11-15)21-19-9-5-7-14(2)18(19)12-20/h3-9,15-16,21H,10-11H2,1-2H3.
What are the key properties of 2-methyl-6-[[3-(2-methylphenyl)cyclobutyl]amino]benzonitrile?
2-methyl-6-[[3-(2-methylphenyl)cyclobutyl]amino]benzonitrile has a molecular weight of 276.38 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[3-(2-methylphenyl)cyclobutyl]amino]benzonitrile is sourced from PubChem (CID 107803329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).