1-(2-chloro-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine

C14H20ClNO2 — CID 117427606

IUPAC1-(2-chloro-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine
SMILESCOc1cc(C)c(OC)c(Cl)c1C1(N)CCCC1
InChIInChI=1S/C14H20ClNO2/c1-9-8-10(17-2)11(12(15)13(9)18-3)14(16)6-4-5-7-14/h8H,4-7,16H2,1-3H3
InChIKeySTDNBZHCBNXUIK-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.39
Rot. Bonds3

About 1-(2-chloro-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine

1-(2-chloro-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine (PubChem CID 117427606) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-(2-chloro-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine
PubChem CID117427606
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name1-(2-chloro-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine
SMILESCOc1cc(C)c(OC)c(Cl)c1C1(N)CCCC1
InChIInChI=1S/C14H20ClNO2/c1-9-8-10(17-2)11(12(15)13(9)18-3)14(16)6-4-5-7-14/h8H,4-7,16H2,1-3H3
InChIKeySTDNBZHCBNXUIK-UHFFFAOYSA-N
XLogP3.39
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine
CID 117499521
1-(3,4-dimethoxy-2,6-dimethylphenyl)cyclohexan-1-amine
CID 117413656
2-(1-aminocyclohexyl)-3-chloro-6-methoxy-4-methylphenol
CID 117427699
1-(3-chloro-4-methoxy-2,6-dimethylphenyl)cyclopropan-1-amine
CID 84790598
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)cyclohexan-1-amine
CID 117456401
1-(3-chloro-2-methoxy-5,6-dimethylphenyl)cyclopentan-1-amine
CID 117388025
1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)cyclopentan-1-amine
CID 117437091
1-(3-chloro-2-methoxy-4,6-dimethylphenyl)cyclopropan-1-amine
CID 84790596
1-(2,3-dimethoxy-5,6-dimethylphenyl)cyclopropan-1-amine
CID 117316555
1-(5-bromo-2-methoxy-3,6-dimethylphenyl)cyclopentan-1-amine
CID 117480650
1-(5-chloro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine
CID 84790711
1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine
CID 117499472

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(2-chloro-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine (CID 117427606) is 1-(2-chloro-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(2-chloro-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(2-chloro-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine is COc1cc(C)c(OC)c(Cl)c1C1(N)CCCC1.
What is the InChIKey of 1-(2-chloro-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine?
The InChIKey is STDNBZHCBNXUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-9-8-10(17-2)11(12(15)13(9)18-3)14(16)6-4-5-7-14/h8H,4-7,16H2,1-3H3.
What are the key properties of 1-(2-chloro-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine?
1-(2-chloro-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine has a molecular weight of 269.77 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine is sourced from PubChem (CID 117427606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).