3-(5-chloro-2-methoxyphenyl)-N-ethylcyclopentan-1-amine

C14H20ClNO — CID 64506168

IUPAC3-(5-chloro-2-methoxyphenyl)-N-ethylcyclopentan-1-amine
SMILESCCNC1CCC(c2cc(Cl)ccc2OC)C1
InChIInChI=1S/C14H20ClNO/c1-3-16-12-6-4-10(8-12)13-9-11(15)5-7-14(13)17-2/h5,7,9-10,12,16H,3-4,6,8H2,1-2H3
InChIKeyJHPZFOQULWGDPA-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.59
Rot. Bonds4

About 3-(5-chloro-2-methoxyphenyl)-N-ethylcyclopentan-1-amine

3-(5-chloro-2-methoxyphenyl)-N-ethylcyclopentan-1-amine (PubChem CID 64506168) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-N-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-N-ethylcyclopentan-1-amine
PubChem CID64506168
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name3-(5-chloro-2-methoxyphenyl)-N-ethylcyclopentan-1-amine
SMILESCCNC1CCC(c2cc(Cl)ccc2OC)C1
InChIInChI=1S/C14H20ClNO/c1-3-16-12-6-4-10(8-12)13-9-11(15)5-7-14(13)17-2/h5,7,9-10,12,16H,3-4,6,8H2,1-2H3
InChIKeyJHPZFOQULWGDPA-UHFFFAOYSA-N
XLogP3.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine
CID 64504260
N-ethyl-3-(2-fluoro-3-methoxyphenyl)cyclopentan-1-amine
CID 82812559
4-chloro-2-cyclohexyl-1-methoxybenzene
CID 71228183
3-(2,4-dichlorophenyl)-N-propylcyclopentan-1-amine
CID 114281133
1-[2-(5-chloro-2-methoxyphenyl)cyclobutyl]-N-methylmethanamine
CID 81016874
2-(5-chloro-2-methoxyphenyl)oxirane
CID 82075180
(2S)-2-(5-chloro-2-methoxyphenyl)pyrrolidin-1-ium
CID 7047874
N-[[2-(5-chloro-2-methoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine
CID 81032180
(3S)-3-(5-chloro-2-methoxyphenyl)piperidine
CID 94259889
(2R)-2-(5-chloro-2-methoxyphenyl)azetidine
CID 130700995
N-ethyl-3-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-amine
CID 64505934
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]cyclopropanamine
CID 66023806

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-N-ethylcyclopentan-1-amine?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-N-ethylcyclopentan-1-amine (CID 64506168) is 3-(5-chloro-2-methoxyphenyl)-N-ethylcyclopentan-1-amine.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-N-ethylcyclopentan-1-amine?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-N-ethylcyclopentan-1-amine is CCNC1CCC(c2cc(Cl)ccc2OC)C1.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-N-ethylcyclopentan-1-amine?
The InChIKey is JHPZFOQULWGDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-3-16-12-6-4-10(8-12)13-9-11(15)5-7-14(13)17-2/h5,7,9-10,12,16H,3-4,6,8H2,1-2H3.
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-N-ethylcyclopentan-1-amine?
3-(5-chloro-2-methoxyphenyl)-N-ethylcyclopentan-1-amine has a molecular weight of 253.77 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-N-ethylcyclopentan-1-amine is sourced from PubChem (CID 64506168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).