2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine

C17H25Cl2N — CID 107188128

IUPAC2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
SMILESCCNC(Cc1c(Cl)cccc1Cl)C1CCCC1(C)C
InChIInChI=1S/C17H25Cl2N/c1-4-20-16(13-7-6-10-17(13,2)3)11-12-14(18)8-5-9-15(12)19/h5,8-9,13,16,20H,4,6-7,10-11H2,1-3H3
InChIKeySSRCIIDETKLTIE-UHFFFAOYSA-N
MW314.30 g/mol
LogP5.34
Rot. Bonds5

About 2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine

2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine (PubChem CID 107188128) has the molecular formula C17H25Cl2N and a molecular weight of 314.30 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
PubChem CID107188128
Molecular FormulaC17H25Cl2N
Molecular Weight314.30 g/mol
Exact Mass313.14
IUPAC Name2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
SMILESCCNC(Cc1c(Cl)cccc1Cl)C1CCCC1(C)C
InChIInChI=1S/C17H25Cl2N/c1-4-20-16(13-7-6-10-17(13,2)3)11-12-14(18)8-5-9-15(12)19/h5,8-9,13,16,20H,4,6-7,10-11H2,1-3H3
InChIKeySSRCIIDETKLTIE-UHFFFAOYSA-N
XLogP5.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.30
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107179470
2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine
CID 107191654
2-(2-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107188245
1-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 65398874
2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
CID 105122810
1-(2,2-dimethylcyclopentyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 107179538
2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)ethanol
CID 107192076
1-(2,2-dimethylcyclohexyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 107179603
1-(2,2-dimethylcyclopentyl)-N-ethyl-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 107190805
1-(2,2-dimethylcyclopentyl)-N-ethylpropan-1-amine
CID 79863310
2-(2-chloro-6-fluorophenyl)-1-cyclopentyl-N-ethylethanamine
CID 61079872
2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107187954

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine (CID 107188128) is 2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine is CCNC(Cc1c(Cl)cccc1Cl)C1CCCC1(C)C.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine?
The InChIKey is SSRCIIDETKLTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N/c1-4-20-16(13-7-6-10-17(13,2)3)11-12-14(18)8-5-9-15(12)19/h5,8-9,13,16,20H,4,6-7,10-11H2,1-3H3.
What are the key properties of 2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine?
2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine has a molecular weight of 314.30 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine is sourced from PubChem (CID 107188128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).