1-(2,2-dimethylcyclopentyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine

C18H29NO — CID 107179538

IUPAC1-(2,2-dimethylcyclopentyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
SMILESCCNC(Cc1ccccc1OC)C1CCCC1(C)C
InChIInChI=1S/C18H29NO/c1-5-19-16(15-10-8-12-18(15,2)3)13-14-9-6-7-11-17(14)20-4/h6-7,9,11,15-16,19H,5,8,10,12-13H2,1-4H3
InChIKeyVGUWCHRWLSHRQI-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.04
Rot. Bonds6

About 1-(2,2-dimethylcyclopentyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine

1-(2,2-dimethylcyclopentyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine (PubChem CID 107179538) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
PubChem CID107179538
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(2,2-dimethylcyclopentyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
SMILESCCNC(Cc1ccccc1OC)C1CCCC1(C)C
InChIInChI=1S/C18H29NO/c1-5-19-16(15-10-8-12-18(15,2)3)13-14-9-6-7-11-17(14)20-4/h6-7,9,11,15-16,19H,5,8,10,12-13H2,1-4H3
InChIKeyVGUWCHRWLSHRQI-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylcyclopentyl)-N-ethyl-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 107190805
1-cyclooctyl-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 65018291
2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107187954
1-(2,2-dimethylcyclopentyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 107190809
2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107188128
2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine
CID 107187957
N-[1-(2-methoxyphenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine
CID 79859791
2-(2-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107188245
2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine
CID 107191654
2-(5-chloro-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine
CID 107188374
2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107179470
1-cyclopropyl-N-ethyl-3-(2-methoxyphenyl)propan-1-amine
CID 63354961

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine?
The IUPAC name of 1-(2,2-dimethylcyclopentyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine (CID 107179538) is 1-(2,2-dimethylcyclopentyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(2,2-dimethylcyclopentyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(2,2-dimethylcyclopentyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine is CCNC(Cc1ccccc1OC)C1CCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopentyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine?
The InChIKey is VGUWCHRWLSHRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-19-16(15-10-8-12-18(15,2)3)13-14-9-6-7-11-17(14)20-4/h6-7,9,11,15-16,19H,5,8,10,12-13H2,1-4H3.
What are the key properties of 1-(2,2-dimethylcyclopentyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine?
1-(2,2-dimethylcyclopentyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopentyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 107179538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).