[3-(cyclohexylmethoxy)-4-methoxyphenyl]methanamine

C15H23NO2 — CID 43122515

IUPAC[3-(cyclohexylmethoxy)-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)cc1OCC1CCCCC1
InChIInChI=1S/C15H23NO2/c1-17-14-8-7-13(10-16)9-15(14)18-11-12-5-3-2-4-6-12/h7-9,12H,2-6,10-11,16H2,1H3
InChIKeyVMULENCXMPJURE-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.11
Rot. Bonds5

About [3-(cyclohexylmethoxy)-4-methoxyphenyl]methanamine

[3-(cyclohexylmethoxy)-4-methoxyphenyl]methanamine (PubChem CID 43122515) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [3-(cyclohexylmethoxy)-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-(cyclohexylmethoxy)-4-methoxyphenyl]methanamine
PubChem CID43122515
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[3-(cyclohexylmethoxy)-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)cc1OCC1CCCCC1
InChIInChI=1S/C15H23NO2/c1-17-14-8-7-13(10-16)9-15(14)18-11-12-5-3-2-4-6-12/h7-9,12H,2-6,10-11,16H2,1H3
InChIKeyVMULENCXMPJURE-UHFFFAOYSA-N
XLogP3.11
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(cyclohexylmethoxy)-3-ethoxyphenyl]methanamine
CID 43122482
[3-bromo-4-(cyclohexylmethoxy)phenyl]methanamine
CID 63046526
N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63056811
4-(bromomethyl)-1-(cyclopentylmethoxy)-2-methoxybenzene
CID 61343201
4-(chloromethyl)-2-(cyclopropylmethoxy)-1-methoxybenzene
CID 22456846
N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methoxyethanamine
CID 63057311
[3-bromo-4-(cyclobutylmethoxy)phenyl]methanamine
CID 65457318
[3-(cyclopropylmethoxy)-4-methylphenyl]methanamine
CID 107655653
[3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanamine
CID 61344623
N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 61344979
1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine
CID 61344621
N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine
CID 43560119

Frequently Asked Questions

What is the IUPAC name of [3-(cyclohexylmethoxy)-4-methoxyphenyl]methanamine?
The IUPAC name of [3-(cyclohexylmethoxy)-4-methoxyphenyl]methanamine (CID 43122515) is [3-(cyclohexylmethoxy)-4-methoxyphenyl]methanamine.
What is the SMILES notation for [3-(cyclohexylmethoxy)-4-methoxyphenyl]methanamine?
The canonical SMILES for [3-(cyclohexylmethoxy)-4-methoxyphenyl]methanamine is COc1ccc(CN)cc1OCC1CCCCC1.
What is the InChIKey of [3-(cyclohexylmethoxy)-4-methoxyphenyl]methanamine?
The InChIKey is VMULENCXMPJURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-17-14-8-7-13(10-16)9-15(14)18-11-12-5-3-2-4-6-12/h7-9,12H,2-6,10-11,16H2,1H3.
What are the key properties of [3-(cyclohexylmethoxy)-4-methoxyphenyl]methanamine?
[3-(cyclohexylmethoxy)-4-methoxyphenyl]methanamine has a molecular weight of 249.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclohexylmethoxy)-4-methoxyphenyl]methanamine is sourced from PubChem (CID 43122515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).