1-(5-chloro-2,3-dimethoxy-6-methylphenyl)cyclohexan-1-amine

C15H22ClNO2 — CID 117456401

IUPAC1-(5-chloro-2,3-dimethoxy-6-methylphenyl)cyclohexan-1-amine
SMILESCOc1cc(Cl)c(C)c(C2(N)CCCCC2)c1OC
InChIInChI=1S/C15H22ClNO2/c1-10-11(16)9-12(18-2)14(19-3)13(10)15(17)7-5-4-6-8-15/h9H,4-8,17H2,1-3H3
InChIKeyQEGYPGQWWPZCPB-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.78
Rot. Bonds3

About 1-(5-chloro-2,3-dimethoxy-6-methylphenyl)cyclohexan-1-amine

1-(5-chloro-2,3-dimethoxy-6-methylphenyl)cyclohexan-1-amine (PubChem CID 117456401) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dimethoxy-6-methylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2,3-dimethoxy-6-methylphenyl)cyclohexan-1-amine
PubChem CID117456401
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name1-(5-chloro-2,3-dimethoxy-6-methylphenyl)cyclohexan-1-amine
SMILESCOc1cc(Cl)c(C)c(C2(N)CCCCC2)c1OC
InChIInChI=1S/C15H22ClNO2/c1-10-11(16)9-12(18-2)14(19-3)13(10)15(17)7-5-4-6-8-15/h9H,4-8,17H2,1-3H3
InChIKeyQEGYPGQWWPZCPB-UHFFFAOYSA-N
XLogP3.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclohexan-1-amine
CID 117476823
1-(3-chloro-2-methoxy-5,6-dimethylphenyl)cyclopentan-1-amine
CID 117388025
1-(3,4-dimethoxy-2,6-dimethylphenyl)cyclohexan-1-amine
CID 117413656
1-(5-chloro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine
CID 84790711
1-(2,3-dimethoxy-5,6-dimethylphenyl)cyclopropan-1-amine
CID 117316555
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentane-1-carboxylic acid
CID 117481216
1-(3-chloro-5-methoxy-4-methylphenyl)cyclohexan-1-amine
CID 117387617
1-(2-chloro-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine
CID 117427606
1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine
CID 117499472
1-(6-chloro-2,3-dimethoxyphenyl)cyclobutan-1-amine
CID 117356551
1-(4,5-dimethoxy-2,3-dimethylphenyl)cyclohexan-1-amine
CID 117413644
1-(5-bromo-2-methoxy-3,6-dimethylphenyl)cyclopentan-1-amine
CID 117480650

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dimethoxy-6-methylphenyl)cyclohexan-1-amine?
The IUPAC name of 1-(5-chloro-2,3-dimethoxy-6-methylphenyl)cyclohexan-1-amine (CID 117456401) is 1-(5-chloro-2,3-dimethoxy-6-methylphenyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(5-chloro-2,3-dimethoxy-6-methylphenyl)cyclohexan-1-amine?
The canonical SMILES for 1-(5-chloro-2,3-dimethoxy-6-methylphenyl)cyclohexan-1-amine is COc1cc(Cl)c(C)c(C2(N)CCCCC2)c1OC.
What is the InChIKey of 1-(5-chloro-2,3-dimethoxy-6-methylphenyl)cyclohexan-1-amine?
The InChIKey is QEGYPGQWWPZCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-10-11(16)9-12(18-2)14(19-3)13(10)15(17)7-5-4-6-8-15/h9H,4-8,17H2,1-3H3.
What are the key properties of 1-(5-chloro-2,3-dimethoxy-6-methylphenyl)cyclohexan-1-amine?
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)cyclohexan-1-amine has a molecular weight of 283.80 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dimethoxy-6-methylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 117456401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).