[1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]cyclohexyl]methanamine

C16H24ClNO2 — CID 117479545

IUPAC[1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]cyclohexyl]methanamine
SMILESCOCc1cc(Cl)cc(OC)c1C1(CN)CCCCC1
InChIInChI=1S/C16H24ClNO2/c1-19-10-12-8-13(17)9-14(20-2)15(12)16(11-18)6-4-3-5-7-16/h8-9H,3-7,10-11,18H2,1-2H3
InChIKeyMJFWKOHXCXCJKD-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.66
Rot. Bonds5

About [1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]cyclohexyl]methanamine

[1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]cyclohexyl]methanamine (PubChem CID 117479545) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is [1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]cyclohexyl]methanamine
PubChem CID117479545
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name[1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]cyclohexyl]methanamine
SMILESCOCc1cc(Cl)cc(OC)c1C1(CN)CCCCC1
InChIInChI=1S/C16H24ClNO2/c1-19-10-12-8-13(17)9-14(20-2)15(12)16(11-18)6-4-3-5-7-16/h8-9H,3-7,10-11,18H2,1-2H3
InChIKeyMJFWKOHXCXCJKD-UHFFFAOYSA-N
XLogP3.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]cyclohexan-1-amine
CID 117456395
[1-[2-chloro-6-(methoxymethyl)phenyl]cyclohexyl]methanamine
CID 117423394
[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117377424
[1-(3-chloro-2,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117427815
[1-(2,5-dichloro-3-methoxyphenyl)cyclobutyl]methanamine
CID 117404130
[1-(2,6-difluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117459547
[1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine
CID 117417809
[1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456508
[1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]methanamine
CID 116963562
[1-(4-chloro-2,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456502
[1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopentyl]methanamine
CID 117441409
2-[1-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-6-methoxyphenol
CID 117464477

Frequently Asked Questions

What is the IUPAC name of [1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]cyclohexyl]methanamine?
The IUPAC name of [1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]cyclohexyl]methanamine (CID 117479545) is [1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]cyclohexyl]methanamine is COCc1cc(Cl)cc(OC)c1C1(CN)CCCCC1.
What is the InChIKey of [1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]cyclohexyl]methanamine?
The InChIKey is MJFWKOHXCXCJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-19-10-12-8-13(17)9-14(20-2)15(12)16(11-18)6-4-3-5-7-16/h8-9H,3-7,10-11,18H2,1-2H3.
What are the key properties of [1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]cyclohexyl]methanamine?
[1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]cyclohexyl]methanamine has a molecular weight of 297.83 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]cyclohexyl]methanamine is sourced from PubChem (CID 117479545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).