2-chloro-N-(3-methylcyclobutyl)aniline

C11H14ClN — CID 104860161

IUPAC2-chloro-N-(3-methylcyclobutyl)aniline
SMILESCC1CC(Nc2ccccc2Cl)C1
InChIInChI=1S/C11H14ClN/c1-8-6-9(7-8)13-11-5-3-2-4-10(11)12/h2-5,8-9,13H,6-7H2,1H3
InChIKeyNDNCKWVSBJZEJM-UHFFFAOYSA-N
MW195.69 g/mol
LogP3.55
Rot. Bonds2

About 2-chloro-N-(3-methylcyclobutyl)aniline

2-chloro-N-(3-methylcyclobutyl)aniline (PubChem CID 104860161) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 2-chloro-N-(3-methylcyclobutyl)aniline.

Molecular Properties

Compound Name2-chloro-N-(3-methylcyclobutyl)aniline
PubChem CID104860161
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name2-chloro-N-(3-methylcyclobutyl)aniline
SMILESCC1CC(Nc2ccccc2Cl)C1
InChIInChI=1S/C11H14ClN/c1-8-6-9(7-8)13-11-5-3-2-4-10(11)12/h2-5,8-9,13H,6-7H2,1H3
InChIKeyNDNCKWVSBJZEJM-UHFFFAOYSA-N
XLogP3.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-1-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 64750815
2-chloro-3-methyl-N-(3-methylcyclobutyl)aniline
CID 126975405
4-N-(2-chlorophenyl)-1-N-methylcyclohexane-1,4-diamine
CID 117027455
2-chloro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline
CID 43633569
2-chloro-6-fluoro-N-(3-methylcyclobutyl)aniline
CID 103562415
2-[(dimethylamino)methyl]-N-(3-methylcyclobutyl)aniline
CID 104859978
N-(2-chlorophenyl)-1-methylpyrrolidin-3-amine
CID 62975578
2-[(3,5-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 64753384
4-chloro-2-fluoro-N-(3-methylcyclobutyl)aniline
CID 103561326
N-(2-chlorophenyl)-1,1-dioxothian-4-amine
CID 43511535
N-(2-chlorophenyl)pyrrolidin-3-amine
CID 66545622
1-(2-chlorophenyl)-3-(3-methylcyclopentyl)thiourea
CID 114550499

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylcyclobutyl)aniline?
The IUPAC name of 2-chloro-N-(3-methylcyclobutyl)aniline (CID 104860161) is 2-chloro-N-(3-methylcyclobutyl)aniline.
What is the SMILES notation for 2-chloro-N-(3-methylcyclobutyl)aniline?
The canonical SMILES for 2-chloro-N-(3-methylcyclobutyl)aniline is CC1CC(Nc2ccccc2Cl)C1.
What is the InChIKey of 2-chloro-N-(3-methylcyclobutyl)aniline?
The InChIKey is NDNCKWVSBJZEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-8-6-9(7-8)13-11-5-3-2-4-10(11)12/h2-5,8-9,13H,6-7H2,1H3.
What are the key properties of 2-chloro-N-(3-methylcyclobutyl)aniline?
2-chloro-N-(3-methylcyclobutyl)aniline has a molecular weight of 195.69 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methylcyclobutyl)aniline is sourced from PubChem (CID 104860161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).