[1-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)cyclopentyl]methanamine

C16H24ClNO2 — CID 117479564

IUPAC[1-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)cyclopentyl]methanamine
SMILESCCc1c(C2(CN)CCCC2)cc(Cl)c(OC)c1OC
InChIInChI=1S/C16H24ClNO2/c1-4-11-12(16(10-18)7-5-6-8-16)9-13(17)15(20-3)14(11)19-2/h9H,4-8,10,18H2,1-3H3
InChIKeyZSAHYAXJEGHNBR-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.69
Rot. Bonds5

About [1-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)cyclopentyl]methanamine

[1-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)cyclopentyl]methanamine (PubChem CID 117479564) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is [1-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)cyclopentyl]methanamine
PubChem CID117479564
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name[1-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)cyclopentyl]methanamine
SMILESCCc1c(C2(CN)CCCC2)cc(Cl)c(OC)c1OC
InChIInChI=1S/C16H24ClNO2/c1-4-11-12(16(10-18)7-5-6-8-16)9-13(17)15(20-3)14(11)19-2/h9H,4-8,10,18H2,1-3H3
InChIKeyZSAHYAXJEGHNBR-UHFFFAOYSA-N
XLogP3.69
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-chloro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456510
[1-(5-chloro-3-methoxy-2,4-dimethylphenyl)cyclohexyl]methanamine
CID 117452765
[1-(5-chloro-3,4-difluoro-2-methoxyphenyl)cyclopentyl]methanamine
CID 117441379
[1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentyl]methanamine
CID 117456529
[1-(3-ethyl-2,4-dimethoxyphenyl)cyclohexyl]methanamine
CID 117444901
[1-(3-chloro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117387762
[1-(3-chloro-2-methoxyphenyl)cyclobutyl]methanamine
CID 131255085
[1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456508
[1-(5-chloro-2,4-difluoro-3-methoxyphenyl)cyclopropyl]methanamine
CID 117372344
[1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine
CID 117387373
[1-(4-chloro-2,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456502
[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117432368

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)cyclopentyl]methanamine (CID 117479564) is [1-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)cyclopentyl]methanamine is CCc1c(C2(CN)CCCC2)cc(Cl)c(OC)c1OC.
What is the InChIKey of [1-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)cyclopentyl]methanamine?
The InChIKey is ZSAHYAXJEGHNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-4-11-12(16(10-18)7-5-6-8-16)9-13(17)15(20-3)14(11)19-2/h9H,4-8,10,18H2,1-3H3.
What are the key properties of [1-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)cyclopentyl]methanamine?
[1-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)cyclopentyl]methanamine has a molecular weight of 297.83 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)cyclopentyl]methanamine is sourced from PubChem (CID 117479564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).