4-[(2-methoxy-5-methylphenyl)methylamino]cyclohexan-1-ol

C15H23NO2 — CID 43406651

IUPAC4-[(2-methoxy-5-methylphenyl)methylamino]cyclohexan-1-ol
SMILESCOc1ccc(C)cc1CNC1CCC(O)CC1
InChIInChI=1S/C15H23NO2/c1-11-3-8-15(18-2)12(9-11)10-16-13-4-6-14(17)7-5-13/h3,8-9,13-14,16-17H,4-7,10H2,1-2H3
InChIKeyBOXKGFQASKDUGJ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.40
Rot. Bonds4

About 4-[(2-methoxy-5-methylphenyl)methylamino]cyclohexan-1-ol

4-[(2-methoxy-5-methylphenyl)methylamino]cyclohexan-1-ol (PubChem CID 43406651) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-[(2-methoxy-5-methylphenyl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(2-methoxy-5-methylphenyl)methylamino]cyclohexan-1-ol
PubChem CID43406651
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-[(2-methoxy-5-methylphenyl)methylamino]cyclohexan-1-ol
SMILESCOc1ccc(C)cc1CNC1CCC(O)CC1
InChIInChI=1S/C15H23NO2/c1-11-3-8-15(18-2)12(9-11)10-16-13-4-6-14(17)7-5-13/h3,8-9,13-14,16-17H,4-7,10H2,1-2H3
InChIKeyBOXKGFQASKDUGJ-UHFFFAOYSA-N
XLogP2.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(2-methoxy-5-methylphenyl)methylamino]cyclohexan-1-ol 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

4-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106126443
2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]ethanol
CID 63326627
4-[(4-methoxy-3-methylphenyl)methylamino]cyclohexan-1-ol
CID 43233134
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
N-[(4-hydroxycyclohexyl)methyl]-2-(2-methoxy-5-methylphenyl)acetamide
CID 106121802
4-[(2,5-dichloro-4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 109379737
N-[(5-methyl-2-propoxyphenyl)methyl]cyclopropanamine
CID 63326809
N-[(2-methoxy-5-methylphenyl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 61223569
N-[[2-(2-methoxy-4-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 43282262
N-[[2-(cyclopentylmethoxy)-5-methylphenyl]methyl]cyclopropanamine
CID 55204741
4-[(2-methoxy-5-methylphenyl)methylamino]pyrrolidin-2-one
CID 114155202
N-[[5-chloro-2-(2-methoxy-5-methylphenyl)phenyl]methyl]cyclopropanamine
CID 66161691

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-5-methylphenyl)methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[(2-methoxy-5-methylphenyl)methylamino]cyclohexan-1-ol (CID 43406651) is 4-[(2-methoxy-5-methylphenyl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(2-methoxy-5-methylphenyl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[(2-methoxy-5-methylphenyl)methylamino]cyclohexan-1-ol is COc1ccc(C)cc1CNC1CCC(O)CC1.
What is the InChIKey of 4-[(2-methoxy-5-methylphenyl)methylamino]cyclohexan-1-ol?
The InChIKey is BOXKGFQASKDUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-3-8-15(18-2)12(9-11)10-16-13-4-6-14(17)7-5-13/h3,8-9,13-14,16-17H,4-7,10H2,1-2H3.
What are the key properties of 4-[(2-methoxy-5-methylphenyl)methylamino]cyclohexan-1-ol?
4-[(2-methoxy-5-methylphenyl)methylamino]cyclohexan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-5-methylphenyl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 43406651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).