4-[(4-methoxy-3-methylphenyl)methylamino]cyclohexan-1-ol

C15H23NO2 — CID 43233134

IUPAC4-[(4-methoxy-3-methylphenyl)methylamino]cyclohexan-1-ol
SMILESCOc1ccc(CNC2CCC(O)CC2)cc1C
InChIInChI=1S/C15H23NO2/c1-11-9-12(3-8-15(11)18-2)10-16-13-4-6-14(17)7-5-13/h3,8-9,13-14,16-17H,4-7,10H2,1-2H3
InChIKeyGORQPWQGWJOMHA-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.40
Rot. Bonds4

About 4-[(4-methoxy-3-methylphenyl)methylamino]cyclohexan-1-ol

4-[(4-methoxy-3-methylphenyl)methylamino]cyclohexan-1-ol (PubChem CID 43233134) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-[(4-methoxy-3-methylphenyl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(4-methoxy-3-methylphenyl)methylamino]cyclohexan-1-ol
PubChem CID43233134
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-[(4-methoxy-3-methylphenyl)methylamino]cyclohexan-1-ol
SMILESCOc1ccc(CNC2CCC(O)CC2)cc1C
InChIInChI=1S/C15H23NO2/c1-11-9-12(3-8-15(11)18-2)10-16-13-4-6-14(17)7-5-13/h3,8-9,13-14,16-17H,4-7,10H2,1-2H3
InChIKeyGORQPWQGWJOMHA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxy-3-methylphenyl)methyl]cyclopent-3-en-1-amine
CID 115696394
1-cyclopropyl-N-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-amine
CID 43234267
4-[(2-methoxy-5-methylphenyl)methylamino]cyclohexan-1-ol
CID 43406651
tert-butyl 3-[(4-methoxy-3-methylphenyl)methylamino]azetidine-1-carboxylate
CID 103748537
N-[(4-methoxy-3-methylphenyl)methyl]-2-methylcyclopentan-1-amine
CID 55171660
4-[[3-[(2R)-3-(diethylamino)-2-hydroxypropoxy]-4-methoxyphenyl]methylamino]cyclohexan-1-ol
CID 42381664
N-[(4-methoxy-3-methylphenyl)methyl]-5,5-dimethylpyrrolidin-3-amine
CID 115145867
5-[(4-methoxy-3-methylphenyl)methylamino]-1-methylpiperidin-2-one
CID 64655740
4-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclohexane-1,4-diamine
CID 115149862
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]cyclopropanamine
CID 115597475
4-[[3-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]-4-methoxyphenyl]methylamino]cyclohexan-1-ol
CID 26327292
1-(4-ethylcyclohexyl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine
CID 63451553

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-3-methylphenyl)methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[(4-methoxy-3-methylphenyl)methylamino]cyclohexan-1-ol (CID 43233134) is 4-[(4-methoxy-3-methylphenyl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(4-methoxy-3-methylphenyl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[(4-methoxy-3-methylphenyl)methylamino]cyclohexan-1-ol is COc1ccc(CNC2CCC(O)CC2)cc1C.
What is the InChIKey of 4-[(4-methoxy-3-methylphenyl)methylamino]cyclohexan-1-ol?
The InChIKey is GORQPWQGWJOMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-9-12(3-8-15(11)18-2)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-[(4-methoxy-3-methylphenyl)methylamino]cyclohexan-1-ol?
4-[(4-methoxy-3-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-[(4-methoxy-3-methylphenyl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 43233134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).