2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline

C14H20ClN — CID 106661600

IUPAC2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline
SMILESCC1CC(C)(C)CC1Nc1ccccc1Cl
InChIInChI=1S/C14H20ClN/c1-10-8-14(2,3)9-13(10)16-12-7-5-4-6-11(12)15/h4-7,10,13,16H,8-9H2,1-3H3
InChIKeyKMZLRWGDBGNJGZ-UHFFFAOYSA-N
MW237.77 g/mol
LogP4.58
Rot. Bonds2

About 2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline

2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline (PubChem CID 106661600) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline.

Molecular Properties

Compound Name2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline
PubChem CID106661600
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline
SMILESCC1CC(C)(C)CC1Nc1ccccc1Cl
InChIInChI=1S/C14H20ClN/c1-10-8-14(2,3)9-13(10)16-12-7-5-4-6-11(12)15/h4-7,10,13,16H,8-9H2,1-3H3
InChIKeyKMZLRWGDBGNJGZ-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenyl-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661522
4-bromo-2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661766
N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661502
2-(difluoromethylsulfanyl)-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661548
2-ethylsulfonyl-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662154
2-(pyrrolidin-1-ylmethyl)-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662123
3-chloro-4-[(2,4,4-trimethylcyclopentyl)amino]benzonitrile
CID 114003389
6-chloro-2-methyl-N-(2,4,4-trimethylcyclopentyl)pyridin-3-amine
CID 114049361
6-chloro-N-(2,4,4-trimethylcyclopentyl)pyridin-2-amine
CID 106662703
2-fluoro-N-(2,4,4-trimethylcyclohexyl)aniline
CID 81320457
2-chloro-N-(3-methylcyclobutyl)aniline
CID 104860161
5-chloro-2-pyrazol-1-yl-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662283

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline?
The IUPAC name of 2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline (CID 106661600) is 2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline.
What is the SMILES notation for 2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline?
The canonical SMILES for 2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline is CC1CC(C)(C)CC1Nc1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline?
The InChIKey is KMZLRWGDBGNJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-10-8-14(2,3)9-13(10)16-12-7-5-4-6-11(12)15/h4-7,10,13,16H,8-9H2,1-3H3.
What are the key properties of 2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline?
2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline has a molecular weight of 237.77 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline is sourced from PubChem (CID 106661600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).