2-methyl-N-[3-(2-methylphenyl)cyclobutyl]aniline

C18H21N — CID 43634045

IUPAC2-methyl-N-[3-(2-methylphenyl)cyclobutyl]aniline
SMILESCc1ccccc1NC1CC(c2ccccc2C)C1
InChIInChI=1S/C18H21N/c1-13-7-3-5-9-17(13)15-11-16(12-15)19-18-10-6-4-8-14(18)2/h3-10,15-16,19H,11-12H2,1-2H3
InChIKeySPKCKILIUQCXBO-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.66
Rot. Bonds3

About 2-methyl-N-[3-(2-methylphenyl)cyclobutyl]aniline

2-methyl-N-[3-(2-methylphenyl)cyclobutyl]aniline (PubChem CID 43634045) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-methyl-N-[3-(2-methylphenyl)cyclobutyl]aniline.

Molecular Properties

Compound Name2-methyl-N-[3-(2-methylphenyl)cyclobutyl]aniline
PubChem CID43634045
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name2-methyl-N-[3-(2-methylphenyl)cyclobutyl]aniline
SMILESCc1ccccc1NC1CC(c2ccccc2C)C1
InChIInChI=1S/C18H21N/c1-13-7-3-5-9-17(13)15-11-16(12-15)19-18-10-6-4-8-14(18)2/h3-10,15-16,19H,11-12H2,1-2H3
InChIKeySPKCKILIUQCXBO-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-3-(2-methylphenyl)cyclobutan-1-amine
CID 43632423
2-methyl-6-[[3-(2-methylphenyl)cyclobutyl]amino]benzonitrile
CID 107803329
N-[3-(2-methylphenyl)cyclobutyl]-2-propylaniline
CID 43687449
3-chloro-2-fluoro-N-[3-(2-methylphenyl)cyclobutyl]aniline
CID 43635005
5-chloro-2-fluoro-N-[3-(2-methylphenyl)cyclobutyl]aniline
CID 43635417
N-[3-(2-methylphenyl)cyclobutyl]-1H-indazol-4-amine
CID 60931253
N-[3-(2-bromophenyl)cyclobutyl]-2,5-dimethylaniline
CID 43634016
4-N,4-N-dimethyl-1-N-[3-(2-methylphenyl)cyclobutyl]benzene-1,4-diamine
CID 43635825
N-(2-methylphenyl)oxetan-3-amine
CID 63624753
5-fluoro-2-[[3-(2-methylphenyl)cyclobutyl]amino]benzonitrile
CID 79034251
2-bromo-N-[3-(2-bromophenyl)cyclobutyl]aniline
CID 43633521
3-(2-methylphenyl)cyclobutan-1-ol
CID 60792741

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(2-methylphenyl)cyclobutyl]aniline?
The IUPAC name of 2-methyl-N-[3-(2-methylphenyl)cyclobutyl]aniline (CID 43634045) is 2-methyl-N-[3-(2-methylphenyl)cyclobutyl]aniline.
What is the SMILES notation for 2-methyl-N-[3-(2-methylphenyl)cyclobutyl]aniline?
The canonical SMILES for 2-methyl-N-[3-(2-methylphenyl)cyclobutyl]aniline is Cc1ccccc1NC1CC(c2ccccc2C)C1.
What is the InChIKey of 2-methyl-N-[3-(2-methylphenyl)cyclobutyl]aniline?
The InChIKey is SPKCKILIUQCXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-13-7-3-5-9-17(13)15-11-16(12-15)19-18-10-6-4-8-14(18)2/h3-10,15-16,19H,11-12H2,1-2H3.
What are the key properties of 2-methyl-N-[3-(2-methylphenyl)cyclobutyl]aniline?
2-methyl-N-[3-(2-methylphenyl)cyclobutyl]aniline has a molecular weight of 251.37 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(2-methylphenyl)cyclobutyl]aniline is sourced from PubChem (CID 43634045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).