[5-(cyclohexyloxymethyl)-2-methoxyphenyl]methanamine

C15H23NO2 — CID 65338634

IUPAC[5-(cyclohexyloxymethyl)-2-methoxyphenyl]methanamine
SMILESCOc1ccc(COC2CCCCC2)cc1CN
InChIInChI=1S/C15H23NO2/c1-17-15-8-7-12(9-13(15)10-16)11-18-14-5-3-2-4-6-14/h7-9,14H,2-6,10-11,16H2,1H3
InChIKeyBLRCBQMQLCQBDU-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.00
Rot. Bonds5

About [5-(cyclohexyloxymethyl)-2-methoxyphenyl]methanamine

[5-(cyclohexyloxymethyl)-2-methoxyphenyl]methanamine (PubChem CID 65338634) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [5-(cyclohexyloxymethyl)-2-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[5-(cyclohexyloxymethyl)-2-methoxyphenyl]methanamine
PubChem CID65338634
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[5-(cyclohexyloxymethyl)-2-methoxyphenyl]methanamine
SMILESCOc1ccc(COC2CCCCC2)cc1CN
InChIInChI=1S/C15H23NO2/c1-17-15-8-7-12(9-13(15)10-16)11-18-14-5-3-2-4-6-14/h7-9,14H,2-6,10-11,16H2,1H3
InChIKeyBLRCBQMQLCQBDU-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-(cyclohexyloxymethyl)-2-methoxyphenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(cycloheptyloxymethyl)-4-methoxyphenyl]methanol
CID 62018226
5-(cyclohexyloxymethyl)-2-methoxybenzenecarbothioamide
CID 65344143
[5-(cyclopentyloxymethyl)-2-fluorophenyl]methanamine
CID 107878875
4-(cyclohexyloxymethyl)-2-methoxybenzenecarbothioamide
CID 106789100
[3-[(2-ethylcyclohexyl)oxymethyl]-4-methoxyphenyl]methanamine
CID 62017257
[4-(cycloheptyloxymethyl)phenyl]methanamine
CID 61069356
[5-(2-cyclobutylethoxymethyl)-2-methoxyphenyl]methanamine
CID 114157330
[4-[(3-ethylcyclohexyl)oxymethyl]-2-methoxyphenyl]methanamine
CID 106786351
2-[5-(cycloheptyloxymethyl)-2-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 113249685
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-1-cyclopentyl-N-methylmethanamine
CID 65338383
[2-methoxy-5-[(2-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341173
[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]azepan-2-yl]methanol
CID 116634306

Frequently Asked Questions

What is the IUPAC name of [5-(cyclohexyloxymethyl)-2-methoxyphenyl]methanamine?
The IUPAC name of [5-(cyclohexyloxymethyl)-2-methoxyphenyl]methanamine (CID 65338634) is [5-(cyclohexyloxymethyl)-2-methoxyphenyl]methanamine.
What is the SMILES notation for [5-(cyclohexyloxymethyl)-2-methoxyphenyl]methanamine?
The canonical SMILES for [5-(cyclohexyloxymethyl)-2-methoxyphenyl]methanamine is COc1ccc(COC2CCCCC2)cc1CN.
What is the InChIKey of [5-(cyclohexyloxymethyl)-2-methoxyphenyl]methanamine?
The InChIKey is BLRCBQMQLCQBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-17-15-8-7-12(9-13(15)10-16)11-18-14-5-3-2-4-6-14/h7-9,14H,2-6,10-11,16H2,1H3.
What are the key properties of [5-(cyclohexyloxymethyl)-2-methoxyphenyl]methanamine?
[5-(cyclohexyloxymethyl)-2-methoxyphenyl]methanamine has a molecular weight of 249.35 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclohexyloxymethyl)-2-methoxyphenyl]methanamine is sourced from PubChem (CID 65338634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).