[1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentyl]methanamine

C15H22ClNO2 — CID 117456529

IUPAC[1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentyl]methanamine
SMILESCOc1c(Cl)cc(C)c(C2(CN)CCCC2)c1OC
InChIInChI=1S/C15H22ClNO2/c1-10-8-11(16)13(18-2)14(19-3)12(10)15(9-17)6-4-5-7-15/h8H,4-7,9,17H2,1-3H3
InChIKeyWCCZMLMAIOXPRT-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.44
Rot. Bonds4

About [1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentyl]methanamine

[1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentyl]methanamine (PubChem CID 117456529) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is [1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentyl]methanamine
PubChem CID117456529
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name[1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentyl]methanamine
SMILESCOc1c(Cl)cc(C)c(C2(CN)CCCC2)c1OC
InChIInChI=1S/C15H22ClNO2/c1-10-8-11(16)13(18-2)14(19-3)12(10)15(9-17)6-4-5-7-15/h8H,4-7,9,17H2,1-3H3
InChIKeyWCCZMLMAIOXPRT-UHFFFAOYSA-N
XLogP3.44
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-chloro-2-methoxy-4,6-dimethylphenyl)cyclopentyl]methanamine
CID 117423426
[1-(3-bromo-2-methoxy-4,6-dimethylphenyl)cyclopentyl]methanamine
CID 117497426
[1-(2,4-dimethoxy-3,6-dimethylphenyl)cyclohexyl]methanamine
CID 117444906
[1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentyl]methanamine
CID 117474122
1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopropan-1-amine
CID 84801185
[1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)cyclohexyl]methanamine
CID 117460449
[1-(3-chloro-2,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117427815
[1-(3-fluoro-2-methoxy-6-methylphenyl)cyclopentyl]methanamine
CID 117347431
[1-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)cyclopentyl]methanamine
CID 117479564
[1-(3-bromo-2-methoxy-5,6-dimethylphenyl)cyclopentyl]methanamine
CID 117497539
[1-(3-chloro-4-methoxy-5-methylphenyl)cyclopropyl]methanamine
CID 84790715
[1-(4-chloro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456510

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentyl]methanamine (CID 117456529) is [1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentyl]methanamine is COc1c(Cl)cc(C)c(C2(CN)CCCC2)c1OC.
What is the InChIKey of [1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentyl]methanamine?
The InChIKey is WCCZMLMAIOXPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-10-8-11(16)13(18-2)14(19-3)12(10)15(9-17)6-4-5-7-15/h8H,4-7,9,17H2,1-3H3.
What are the key properties of [1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentyl]methanamine?
[1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentyl]methanamine has a molecular weight of 283.80 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentyl]methanamine is sourced from PubChem (CID 117456529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).