[1-(3-chloro-2,6-dimethoxyphenyl)cyclopentyl]methanamine

C14H20ClNO2 — CID 117427815

IUPAC[1-(3-chloro-2,6-dimethoxyphenyl)cyclopentyl]methanamine
SMILESCOc1ccc(Cl)c(OC)c1C1(CN)CCCC1
InChIInChI=1S/C14H20ClNO2/c1-17-11-6-5-10(15)13(18-2)12(11)14(9-16)7-3-4-8-14/h5-6H,3-4,7-9,16H2,1-2H3
InChIKeyKPCGDVBIEUVSGN-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.13
Rot. Bonds4

About [1-(3-chloro-2,6-dimethoxyphenyl)cyclopentyl]methanamine

[1-(3-chloro-2,6-dimethoxyphenyl)cyclopentyl]methanamine (PubChem CID 117427815) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is [1-(3-chloro-2,6-dimethoxyphenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-2,6-dimethoxyphenyl)cyclopentyl]methanamine
PubChem CID117427815
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name[1-(3-chloro-2,6-dimethoxyphenyl)cyclopentyl]methanamine
SMILESCOc1ccc(Cl)c(OC)c1C1(CN)CCCC1
InChIInChI=1S/C14H20ClNO2/c1-17-11-6-5-10(15)13(18-2)12(11)14(9-16)7-3-4-8-14/h5-6H,3-4,7-9,16H2,1-2H3
InChIKeyKPCGDVBIEUVSGN-UHFFFAOYSA-N
XLogP3.13
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine
CID 117417809
[1-(3-chloro-6-fluoro-2-methoxyphenyl)cyclopentyl]methanamine
CID 117397976
[1-(4-chloro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456510
[1-(3-chloro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117387762
[1-(3-chloro-2-methoxyphenyl)cyclobutyl]methanamine
CID 131255085
[1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117386175
[1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentyl]methanamine
CID 117456529
[1-(2-methoxynaphthalen-1-yl)cyclobutyl]methanamine
CID 117355668
1-(3-chloro-2,6-dimethoxyphenyl)cyclopropan-1-amine
CID 117327759
[1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117448334
[1-(2-chloro-3,4-dimethoxyphenyl)cyclobutyl]methanamine
CID 117392400
[1-(3-chloro-4-methoxyphenyl)cyclohexyl]methanamine
CID 82499570

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2,6-dimethoxyphenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(3-chloro-2,6-dimethoxyphenyl)cyclopentyl]methanamine (CID 117427815) is [1-(3-chloro-2,6-dimethoxyphenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(3-chloro-2,6-dimethoxyphenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(3-chloro-2,6-dimethoxyphenyl)cyclopentyl]methanamine is COc1ccc(Cl)c(OC)c1C1(CN)CCCC1.
What is the InChIKey of [1-(3-chloro-2,6-dimethoxyphenyl)cyclopentyl]methanamine?
The InChIKey is KPCGDVBIEUVSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-17-11-6-5-10(15)13(18-2)12(11)14(9-16)7-3-4-8-14/h5-6H,3-4,7-9,16H2,1-2H3.
What are the key properties of [1-(3-chloro-2,6-dimethoxyphenyl)cyclopentyl]methanamine?
[1-(3-chloro-2,6-dimethoxyphenyl)cyclopentyl]methanamine has a molecular weight of 269.77 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2,6-dimethoxyphenyl)cyclopentyl]methanamine is sourced from PubChem (CID 117427815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).