1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]cyclohexan-1-amine

C15H22ClNO2 — CID 117456395

IUPAC1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]cyclohexan-1-amine
SMILESCOCc1cc(Cl)cc(OC)c1C1(N)CCCCC1
InChIInChI=1S/C15H22ClNO2/c1-18-10-11-8-12(16)9-13(19-2)14(11)15(17)6-4-3-5-7-15/h8-9H,3-7,10,17H2,1-2H3
InChIKeyLACSCMQCIKYFQW-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.61
Rot. Bonds4

About 1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]cyclohexan-1-amine

1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]cyclohexan-1-amine (PubChem CID 117456395) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]cyclohexan-1-amine
PubChem CID117456395
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]cyclohexan-1-amine
SMILESCOCc1cc(Cl)cc(OC)c1C1(N)CCCCC1
InChIInChI=1S/C15H22ClNO2/c1-18-10-11-8-12(16)9-13(19-2)14(11)15(17)6-4-3-5-7-15/h8-9H,3-7,10,17H2,1-2H3
InChIKeyLACSCMQCIKYFQW-UHFFFAOYSA-N
XLogP3.61
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]cyclohexyl]methanamine
CID 117479545
1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclohexan-1-amine
CID 117476614
1-[4-fluoro-2-(methoxymethyl)phenyl]cyclopentan-1-amine
CID 117320330
1-(2-chloro-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine
CID 117427606
1-[(5-chloro-2,3-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117356301
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)cyclohexan-1-amine
CID 117456401
1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclopentan-1-amine
CID 117388014
1-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine
CID 117494437
1-(2-fluoro-4,6-dimethoxyphenyl)cyclohexan-1-amine
CID 117386080
1-(3,4-dimethoxy-2,6-dimethylphenyl)cyclohexan-1-amine
CID 117413656
1-[2-bromo-6-(methoxymethyl)phenyl]cyclopentan-1-amine
CID 117457434
2-(1-aminocyclohexyl)-3-chloro-6-methoxy-4-methylphenol
CID 117427699

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]cyclohexan-1-amine?
The IUPAC name of 1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]cyclohexan-1-amine (CID 117456395) is 1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]cyclohexan-1-amine?
The canonical SMILES for 1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]cyclohexan-1-amine is COCc1cc(Cl)cc(OC)c1C1(N)CCCCC1.
What is the InChIKey of 1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]cyclohexan-1-amine?
The InChIKey is LACSCMQCIKYFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-18-10-11-8-12(16)9-13(19-2)14(11)15(17)6-4-3-5-7-15/h8-9H,3-7,10,17H2,1-2H3.
What are the key properties of 1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]cyclohexan-1-amine?
1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]cyclohexan-1-amine has a molecular weight of 283.80 g/mol, XLogP of 3.61, 4 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]cyclohexan-1-amine is sourced from PubChem (CID 117456395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).