[2-(3-methoxyphenoxy)-4-methylcyclohexyl]methanamine

C15H23NO2 — CID 43293897

IUPAC[2-(3-methoxyphenoxy)-4-methylcyclohexyl]methanamine
SMILESCOc1cccc(OC2CC(C)CCC2CN)c1
InChIInChI=1S/C15H23NO2/c1-11-6-7-12(10-16)15(8-11)18-14-5-3-4-13(9-14)17-2/h3-5,9,11-12,15H,6-8,10,16H2,1-2H3
InChIKeyVPPKJBQKRACIPO-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.84
Rot. Bonds4

About [2-(3-methoxyphenoxy)-4-methylcyclohexyl]methanamine

[2-(3-methoxyphenoxy)-4-methylcyclohexyl]methanamine (PubChem CID 43293897) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [2-(3-methoxyphenoxy)-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(3-methoxyphenoxy)-4-methylcyclohexyl]methanamine
PubChem CID43293897
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[2-(3-methoxyphenoxy)-4-methylcyclohexyl]methanamine
SMILESCOc1cccc(OC2CC(C)CCC2CN)c1
InChIInChI=1S/C15H23NO2/c1-11-6-7-12(10-16)15(8-11)18-14-5-3-4-13(9-14)17-2/h3-5,9,11-12,15H,6-8,10,16H2,1-2H3
InChIKeyVPPKJBQKRACIPO-UHFFFAOYSA-N
XLogP2.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenoxy)-4-methylcyclohexan-1-amine
CID 16788224
[2-(3-tert-butylphenoxy)-4-methylcyclohexyl]methanamine
CID 43294223
[4-methyl-2-[3-(trifluoromethyl)phenoxy]cyclohexyl]methanamine
CID 43294072
[2-(2-methoxyphenoxy)-4-methylcyclohexyl]methanamine
CID 43293992
[2-(4-ethoxyphenoxy)-4-methylcyclohexyl]methanamine
CID 43293855
[2-(2-methoxy-4-methylphenoxy)-4-methylcyclohexyl]methanamine
CID 43294041
[2-(2-fluorophenoxy)-4-methylcyclohexyl]methanamine
CID 43293926
2-(3-methoxyphenoxy)cyclopentan-1-amine
CID 16796159
[2-(2,4-dichlorophenoxy)-4-methylcyclohexyl]methanamine
CID 43531167
[2-(2-ethylphenoxy)-4-methylcyclohexyl]methanamine
CID 43294242
[2-[(3-methoxyphenyl)methyl]cyclobutyl]methanamine
CID 81011141
[4-methyl-2-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine
CID 43428941

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenoxy)-4-methylcyclohexyl]methanamine?
The IUPAC name of [2-(3-methoxyphenoxy)-4-methylcyclohexyl]methanamine (CID 43293897) is [2-(3-methoxyphenoxy)-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [2-(3-methoxyphenoxy)-4-methylcyclohexyl]methanamine?
The canonical SMILES for [2-(3-methoxyphenoxy)-4-methylcyclohexyl]methanamine is COc1cccc(OC2CC(C)CCC2CN)c1.
What is the InChIKey of [2-(3-methoxyphenoxy)-4-methylcyclohexyl]methanamine?
The InChIKey is VPPKJBQKRACIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-6-7-12(10-16)15(8-11)18-14-5-3-4-13(9-14)17-2/h3-5,9,11-12,15H,6-8,10,16H2,1-2H3.
What are the key properties of [2-(3-methoxyphenoxy)-4-methylcyclohexyl]methanamine?
[2-(3-methoxyphenoxy)-4-methylcyclohexyl]methanamine has a molecular weight of 249.35 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenoxy)-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 43293897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).