1-(3-chloro-5-methoxy-4-methylphenyl)cyclohexan-1-amine

C14H20ClNO — CID 117387617

IUPAC1-(3-chloro-5-methoxy-4-methylphenyl)cyclohexan-1-amine
SMILESCOc1cc(C2(N)CCCCC2)cc(Cl)c1C
InChIInChI=1S/C14H20ClNO/c1-10-12(15)8-11(9-13(10)17-2)14(16)6-4-3-5-7-14/h8-9H,3-7,16H2,1-2H3
InChIKeyHATKHKODAMZGDJ-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.78
Rot. Bonds2

About 1-(3-chloro-5-methoxy-4-methylphenyl)cyclohexan-1-amine

1-(3-chloro-5-methoxy-4-methylphenyl)cyclohexan-1-amine (PubChem CID 117387617) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-(3-chloro-5-methoxy-4-methylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-5-methoxy-4-methylphenyl)cyclohexan-1-amine
PubChem CID117387617
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-(3-chloro-5-methoxy-4-methylphenyl)cyclohexan-1-amine
SMILESCOc1cc(C2(N)CCCCC2)cc(Cl)c1C
InChIInChI=1S/C14H20ClNO/c1-10-12(15)8-11(9-13(10)17-2)14(16)6-4-3-5-7-14/h8-9H,3-7,16H2,1-2H3
InChIKeyHATKHKODAMZGDJ-UHFFFAOYSA-N
XLogP3.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxy-4,5-dimethylphenyl)cyclohexan-1-amine
CID 117339192
1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclohexan-1-amine
CID 117423312
1-(4-chloro-3-methoxyphenyl)cyclohexan-1-amine
CID 79700571
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)cyclohexan-1-amine
CID 117456401
1-(3-chloro-5-methoxy-4-methylphenyl)cyclopropan-1-ol
CID 117303343
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-methoxy-4-methylphenyl)cycloheptan-1-amine
CID 43146596
1-(4-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine
CID 117320334
1-(4-chloro-3-methoxy-5-methylphenyl)cyclopropan-1-amine
CID 84782091
1-(3-bromo-4,5-dimethoxyphenyl)cyclohexan-1-amine
CID 117499870
1-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexan-1-amine
CID 117494486

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methoxy-4-methylphenyl)cyclohexan-1-amine?
The IUPAC name of 1-(3-chloro-5-methoxy-4-methylphenyl)cyclohexan-1-amine (CID 117387617) is 1-(3-chloro-5-methoxy-4-methylphenyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(3-chloro-5-methoxy-4-methylphenyl)cyclohexan-1-amine?
The canonical SMILES for 1-(3-chloro-5-methoxy-4-methylphenyl)cyclohexan-1-amine is COc1cc(C2(N)CCCCC2)cc(Cl)c1C.
What is the InChIKey of 1-(3-chloro-5-methoxy-4-methylphenyl)cyclohexan-1-amine?
The InChIKey is HATKHKODAMZGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10-12(15)8-11(9-13(10)17-2)14(16)6-4-3-5-7-14/h8-9H,3-7,16H2,1-2H3.
What are the key properties of 1-(3-chloro-5-methoxy-4-methylphenyl)cyclohexan-1-amine?
1-(3-chloro-5-methoxy-4-methylphenyl)cyclohexan-1-amine has a molecular weight of 253.77 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methoxy-4-methylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 117387617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).