3-chloro-N-(2,2-dimethylcyclopentyl)aniline

C13H18ClN — CID 79865179

IUPAC3-chloro-N-(2,2-dimethylcyclopentyl)aniline
SMILESCC1(C)CCCC1Nc1cccc(Cl)c1
InChIInChI=1S/C13H18ClN/c1-13(2)8-4-7-12(13)15-11-6-3-5-10(14)9-11/h3,5-6,9,12,15H,4,7-8H2,1-2H3
InChIKeyKZFPRAPWJOBHRP-UHFFFAOYSA-N
MW223.75 g/mol
LogP4.33
Rot. Bonds2

About 3-chloro-N-(2,2-dimethylcyclopentyl)aniline

3-chloro-N-(2,2-dimethylcyclopentyl)aniline (PubChem CID 79865179) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 3-chloro-N-(2,2-dimethylcyclopentyl)aniline.

Molecular Properties

Compound Name3-chloro-N-(2,2-dimethylcyclopentyl)aniline
PubChem CID79865179
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name3-chloro-N-(2,2-dimethylcyclopentyl)aniline
SMILESCC1(C)CCCC1Nc1cccc(Cl)c1
InChIInChI=1S/C13H18ClN/c1-13(2)8-4-7-12(13)15-11-6-3-5-10(14)9-11/h3,5-6,9,12,15H,4,7-8H2,1-2H3
InChIKeyKZFPRAPWJOBHRP-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-[(2,2-dimethylcyclopentyl)amino]phenyl]methanol
CID 79859836
N-(2,2-dimethylcyclopentyl)-3-methoxyaniline
CID 79864652
N-[3-[(2,2-dimethylcyclopentyl)amino]phenyl]acetamide
CID 79864740
3-[(2,2-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 79828479
4-chloro-N-(2,2-dimethylcyclopentyl)-2-methylaniline
CID 79864654
N-[1-(3-chlorophenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine
CID 79860721
4-N-(2,2-dimethylcyclopentyl)-2-methylbenzene-1,4-diamine
CID 79862138
2-chloro-5-[(2,2-dimethylcyclopentyl)amino]benzoic acid
CID 79859610
2-[3-[(2,2-dimethylcyclopentyl)amino]phenoxy]acetonitrile
CID 79860485
N-(2,2-dimethylcyclobutyl)-3-fluoroaniline
CID 130532973
N-(2,2-dimethylcyclopentyl)-3-(2H-tetrazol-5-yl)aniline
CID 79859855
3-chloro-N-(2,2-dimethylcyclopentyl)-4-ethoxyaniline
CID 79860269

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,2-dimethylcyclopentyl)aniline?
The IUPAC name of 3-chloro-N-(2,2-dimethylcyclopentyl)aniline (CID 79865179) is 3-chloro-N-(2,2-dimethylcyclopentyl)aniline.
What is the SMILES notation for 3-chloro-N-(2,2-dimethylcyclopentyl)aniline?
The canonical SMILES for 3-chloro-N-(2,2-dimethylcyclopentyl)aniline is CC1(C)CCCC1Nc1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2,2-dimethylcyclopentyl)aniline?
The InChIKey is KZFPRAPWJOBHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-13(2)8-4-7-12(13)15-11-6-3-5-10(14)9-11/h3,5-6,9,12,15H,4,7-8H2,1-2H3.
What are the key properties of 3-chloro-N-(2,2-dimethylcyclopentyl)aniline?
3-chloro-N-(2,2-dimethylcyclopentyl)aniline has a molecular weight of 223.75 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,2-dimethylcyclopentyl)aniline is sourced from PubChem (CID 79865179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).