2-chloro-N-(3,3-dimethylcyclopentyl)-5-methylaniline

C14H20ClN — CID 107630695

IUPAC2-chloro-N-(3,3-dimethylcyclopentyl)-5-methylaniline
SMILESCc1ccc(Cl)c(NC2CCC(C)(C)C2)c1
InChIInChI=1S/C14H20ClN/c1-10-4-5-12(15)13(8-10)16-11-6-7-14(2,3)9-11/h4-5,8,11,16H,6-7,9H2,1-3H3
InChIKeyOIECZXFQKXPPPN-UHFFFAOYSA-N
MW237.77 g/mol
LogP4.64
Rot. Bonds2

About 2-chloro-N-(3,3-dimethylcyclopentyl)-5-methylaniline

2-chloro-N-(3,3-dimethylcyclopentyl)-5-methylaniline (PubChem CID 107630695) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 2-chloro-N-(3,3-dimethylcyclopentyl)-5-methylaniline.

Molecular Properties

Compound Name2-chloro-N-(3,3-dimethylcyclopentyl)-5-methylaniline
PubChem CID107630695
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name2-chloro-N-(3,3-dimethylcyclopentyl)-5-methylaniline
SMILESCc1ccc(Cl)c(NC2CCC(C)(C)C2)c1
InChIInChI=1S/C14H20ClN/c1-10-4-5-12(15)13(8-10)16-11-6-7-14(2,3)9-11/h4-5,8,11,16H,6-7,9H2,1-3H3
InChIKeyOIECZXFQKXPPPN-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 2-chloro-N-(3,3-dimethylcyclopentyl)-5-methylaniline?
The IUPAC name of 2-chloro-N-(3,3-dimethylcyclopentyl)-5-methylaniline (CID 107630695) is 2-chloro-N-(3,3-dimethylcyclopentyl)-5-methylaniline.
What is the SMILES notation for 2-chloro-N-(3,3-dimethylcyclopentyl)-5-methylaniline?
The canonical SMILES for 2-chloro-N-(3,3-dimethylcyclopentyl)-5-methylaniline is Cc1ccc(Cl)c(NC2CCC(C)(C)C2)c1.
What is the InChIKey of 2-chloro-N-(3,3-dimethylcyclopentyl)-5-methylaniline?
The InChIKey is OIECZXFQKXPPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-10-4-5-12(15)13(8-10)16-11-6-7-14(2,3)9-11/h4-5,8,11,16H,6-7,9H2,1-3H3.
What are the key properties of 2-chloro-N-(3,3-dimethylcyclopentyl)-5-methylaniline?
2-chloro-N-(3,3-dimethylcyclopentyl)-5-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 2-chloro-N-(3,3-dimethylcyclopentyl)-5-methylaniline is sourced from PubChem (CID 107630695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).