4-chloro-N-(2,2-dimethylcyclopentyl)-2-methylaniline

C14H20ClN — CID 79864654

IUPAC4-chloro-N-(2,2-dimethylcyclopentyl)-2-methylaniline
SMILESCc1cc(Cl)ccc1NC1CCCC1(C)C
InChIInChI=1S/C14H20ClN/c1-10-9-11(15)6-7-12(10)16-13-5-4-8-14(13,2)3/h6-7,9,13,16H,4-5,8H2,1-3H3
InChIKeyWLJXJPPEJUWWNH-UHFFFAOYSA-N
MW237.77 g/mol
LogP4.64
Rot. Bonds2

About 4-chloro-N-(2,2-dimethylcyclopentyl)-2-methylaniline

4-chloro-N-(2,2-dimethylcyclopentyl)-2-methylaniline (PubChem CID 79864654) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 4-chloro-N-(2,2-dimethylcyclopentyl)-2-methylaniline.

Molecular Properties

Compound Name4-chloro-N-(2,2-dimethylcyclopentyl)-2-methylaniline
PubChem CID79864654
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name4-chloro-N-(2,2-dimethylcyclopentyl)-2-methylaniline
SMILESCc1cc(Cl)ccc1NC1CCCC1(C)C
InChIInChI=1S/C14H20ClN/c1-10-9-11(15)6-7-12(10)16-13-5-4-8-14(13,2)3/h6-7,9,13,16H,4-5,8H2,1-3H3
InChIKeyWLJXJPPEJUWWNH-UHFFFAOYSA-N
XLogP4.64
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 ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,2-dimethylcyclopentyl)-2-methylaniline?
The IUPAC name of 4-chloro-N-(2,2-dimethylcyclopentyl)-2-methylaniline (CID 79864654) is 4-chloro-N-(2,2-dimethylcyclopentyl)-2-methylaniline.
What is the SMILES notation for 4-chloro-N-(2,2-dimethylcyclopentyl)-2-methylaniline?
The canonical SMILES for 4-chloro-N-(2,2-dimethylcyclopentyl)-2-methylaniline is Cc1cc(Cl)ccc1NC1CCCC1(C)C.
What is the InChIKey of 4-chloro-N-(2,2-dimethylcyclopentyl)-2-methylaniline?
The InChIKey is WLJXJPPEJUWWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-10-9-11(15)6-7-12(10)16-13-5-4-8-14(13,2)3/h6-7,9,13,16H,4-5,8H2,1-3H3.
What are the key properties of 4-chloro-N-(2,2-dimethylcyclopentyl)-2-methylaniline?
4-chloro-N-(2,2-dimethylcyclopentyl)-2-methylaniline has a molecular weight of 237.77 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,2-dimethylcyclopentyl)-2-methylaniline is sourced from PubChem (CID 79864654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).