1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclohexan-1-amine

C15H22ClNO — CID 117423312

IUPAC1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclohexan-1-amine
SMILESCCc1c(Cl)cc(C2(N)CCCCC2)cc1OC
InChIInChI=1S/C15H22ClNO/c1-3-12-13(16)9-11(10-14(12)18-2)15(17)7-5-4-6-8-15/h9-10H,3-8,17H2,1-2H3
InChIKeyOBOKEMQOYFBMHM-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.03
Rot. Bonds3

About 1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclohexan-1-amine

1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclohexan-1-amine (PubChem CID 117423312) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclohexan-1-amine
PubChem CID117423312
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclohexan-1-amine
SMILESCCc1c(Cl)cc(C2(N)CCCCC2)cc1OC
InChIInChI=1S/C15H22ClNO/c1-3-12-13(16)9-11(10-14(12)18-2)15(17)7-5-4-6-8-15/h9-10H,3-8,17H2,1-2H3
InChIKeyOBOKEMQOYFBMHM-UHFFFAOYSA-N
XLogP4.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-5-methoxy-4-methylphenyl)cyclohexan-1-amine
CID 117387617
1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutan-1-amine
CID 117320267
1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclopropan-1-ol
CID 117326102
1-(4-chloro-3-methoxyphenyl)cyclohexan-1-amine
CID 79700571
1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117389837
1-(4-fluoro-3,5-dimethoxyphenyl)cyclopentan-1-amine
CID 84799752
1-(3-chloro-4-cyclopropyl-5-methoxyphenyl)cyclobutan-1-amine
CID 117382891
1-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexan-1-amine
CID 117494486
1-(3-methoxy-4,5-dimethylphenyl)cyclohexan-1-amine
CID 117339192
1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclopentan-1-amine
CID 117388014
1-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]cyclopentan-1-amine
CID 117476556
1-(3-bromo-4,5-dimethoxyphenyl)cyclohexan-1-amine
CID 117499870

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclohexan-1-amine?
The IUPAC name of 1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclohexan-1-amine (CID 117423312) is 1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclohexan-1-amine?
The canonical SMILES for 1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclohexan-1-amine is CCc1c(Cl)cc(C2(N)CCCCC2)cc1OC.
What is the InChIKey of 1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclohexan-1-amine?
The InChIKey is OBOKEMQOYFBMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-3-12-13(16)9-11(10-14(12)18-2)15(17)7-5-4-6-8-15/h9-10H,3-8,17H2,1-2H3.
What are the key properties of 1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclohexan-1-amine?
1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclohexan-1-amine has a molecular weight of 267.80 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclohexan-1-amine is sourced from PubChem (CID 117423312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).