2-[1-(aminomethyl)cyclohexyl]-4-methoxy-5-methylphenol

C15H23NO2 — CID 117377399

IUPAC2-[1-(aminomethyl)cyclohexyl]-4-methoxy-5-methylphenol
SMILESCOc1cc(C2(CN)CCCCC2)c(O)cc1C
InChIInChI=1S/C15H23NO2/c1-11-8-13(17)12(9-14(11)18-2)15(10-16)6-4-3-5-7-15/h8-9,17H,3-7,10,16H2,1-2H3
InChIKeyKAXDGWATFIKMMO-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.87
Rot. Bonds3

About 2-[1-(aminomethyl)cyclohexyl]-4-methoxy-5-methylphenol

2-[1-(aminomethyl)cyclohexyl]-4-methoxy-5-methylphenol (PubChem CID 117377399) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-4-methoxy-5-methylphenol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-4-methoxy-5-methylphenol
PubChem CID117377399
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-4-methoxy-5-methylphenol
SMILESCOc1cc(C2(CN)CCCCC2)c(O)cc1C
InChIInChI=1S/C15H23NO2/c1-11-8-13(17)12(9-14(11)18-2)15(10-16)6-4-3-5-7-15/h8-9,17H,3-7,10,16H2,1-2H3
InChIKeyKAXDGWATFIKMMO-UHFFFAOYSA-N
XLogP2.87
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-(aminomethyl)cyclohexyl]-4-methoxy-5-methylphenol 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

[1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine
CID 82499041
[1-(2-fluoro-5-methoxy-4-methylphenyl)cyclohexyl]methanamine
CID 117382086
2-[1-(aminomethyl)cyclopentyl]-5-chloro-4-methoxyphenol
CID 117392957
2-[1-(aminomethyl)cyclopentyl]-5-methylbenzene-1,4-diol
CID 117316086
2-(1-aminocyclopentyl)-4-methoxy-5-methylphenol
CID 117316532
[1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclopentyl]methanamine
CID 117413430
[1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentyl]methanamine
CID 84798723
4-[1-(aminomethyl)cyclobutyl]-6-methoxy-2,3-dimethylphenol
CID 117343193
[1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456508
2-[1-(2-hydroxy-5-methoxy-4-methylphenyl)cyclopropyl]acetic acid
CID 117344693
[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclohexyl]methanamine
CID 117382102
2-[1-(aminomethyl)cyclohexyl]-4-methylphenol
CID 82615959

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-4-methoxy-5-methylphenol?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-4-methoxy-5-methylphenol (CID 117377399) is 2-[1-(aminomethyl)cyclohexyl]-4-methoxy-5-methylphenol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-4-methoxy-5-methylphenol?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-4-methoxy-5-methylphenol is COc1cc(C2(CN)CCCCC2)c(O)cc1C.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-4-methoxy-5-methylphenol?
The InChIKey is KAXDGWATFIKMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-8-13(17)12(9-14(11)18-2)15(10-16)6-4-3-5-7-15/h8-9,17H,3-7,10,16H2,1-2H3.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-4-methoxy-5-methylphenol?
2-[1-(aminomethyl)cyclohexyl]-4-methoxy-5-methylphenol has a molecular weight of 249.35 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-4-methoxy-5-methylphenol is sourced from PubChem (CID 117377399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).