[1-(3-chloro-4-methoxyphenyl)cyclohexyl]methanamine

C14H20ClNO — CID 82499570

IUPAC[1-(3-chloro-4-methoxyphenyl)cyclohexyl]methanamine
SMILESCOc1ccc(C2(CN)CCCCC2)cc1Cl
InChIInChI=1S/C14H20ClNO/c1-17-13-6-5-11(9-12(13)15)14(10-16)7-3-2-4-8-14/h5-6,9H,2-4,7-8,10,16H2,1H3
InChIKeyHJDBUVDJZSZVLM-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.51
Rot. Bonds3

About [1-(3-chloro-4-methoxyphenyl)cyclohexyl]methanamine

[1-(3-chloro-4-methoxyphenyl)cyclohexyl]methanamine (PubChem CID 82499570) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is [1-(3-chloro-4-methoxyphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-4-methoxyphenyl)cyclohexyl]methanamine
PubChem CID82499570
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name[1-(3-chloro-4-methoxyphenyl)cyclohexyl]methanamine
SMILESCOc1ccc(C2(CN)CCCCC2)cc1Cl
InChIInChI=1S/C14H20ClNO/c1-17-13-6-5-11(9-12(13)15)14(10-16)7-3-2-4-8-14/h5-6,9H,2-4,7-8,10,16H2,1H3
InChIKeyHJDBUVDJZSZVLM-UHFFFAOYSA-N
XLogP3.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-chloro-4-ethoxyphenyl)cyclopentyl]methanamine
CID 82499574
[1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine
CID 83824553
[1-(4-methoxy-3-methylsulfanylphenyl)cyclohexyl]methanamine
CID 117418161
[1-[3-chloro-4-(thietan-3-yloxy)phenyl]cyclohexyl]methanamine
CID 117496547
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
CID 131328420
[1-(4-chloro-2,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456502
[1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]methanamine
CID 117488616
[1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456508
[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117377424
[1-(3-methoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117371885
1-(3-chloro-4-methoxyphenyl)-N-methylcyclohexan-1-amine
CID 82298649
[1-(3-chloro-2,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117427815

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-methoxyphenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(3-chloro-4-methoxyphenyl)cyclohexyl]methanamine (CID 82499570) is [1-(3-chloro-4-methoxyphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(3-chloro-4-methoxyphenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(3-chloro-4-methoxyphenyl)cyclohexyl]methanamine is COc1ccc(C2(CN)CCCCC2)cc1Cl.
What is the InChIKey of [1-(3-chloro-4-methoxyphenyl)cyclohexyl]methanamine?
The InChIKey is HJDBUVDJZSZVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-17-13-6-5-11(9-12(13)15)14(10-16)7-3-2-4-8-14/h5-6,9H,2-4,7-8,10,16H2,1H3.
What are the key properties of [1-(3-chloro-4-methoxyphenyl)cyclohexyl]methanamine?
[1-(3-chloro-4-methoxyphenyl)cyclohexyl]methanamine has a molecular weight of 253.77 g/mol, XLogP of 3.51, 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-methoxyphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 82499570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).