4-methoxy-2-[[(1-methylcyclohexyl)methylamino]methyl]phenol

C16H25NO2 — CID 103923735

IUPAC4-methoxy-2-[[(1-methylcyclohexyl)methylamino]methyl]phenol
SMILESCOc1ccc(O)c(CNCC2(C)CCCCC2)c1
InChIInChI=1S/C16H25NO2/c1-16(8-4-3-5-9-16)12-17-11-13-10-14(19-2)6-7-15(13)18/h6-7,10,17-18H,3-5,8-9,11-12H2,1-2H3
InChIKeyKEMHDNOOTSFFMB-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.46
Rot. Bonds5

About 4-methoxy-2-[[(1-methylcyclohexyl)methylamino]methyl]phenol

4-methoxy-2-[[(1-methylcyclohexyl)methylamino]methyl]phenol (PubChem CID 103923735) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-methoxy-2-[[(1-methylcyclohexyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[[(1-methylcyclohexyl)methylamino]methyl]phenol
PubChem CID103923735
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-methoxy-2-[[(1-methylcyclohexyl)methylamino]methyl]phenol
SMILESCOc1ccc(O)c(CNCC2(C)CCCCC2)c1
InChIInChI=1S/C16H25NO2/c1-16(8-4-3-5-9-16)12-17-11-13-10-14(19-2)6-7-15(13)18/h6-7,10,17-18H,3-5,8-9,11-12H2,1-2H3
InChIKeyKEMHDNOOTSFFMB-UHFFFAOYSA-N
XLogP3.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[(1-methylcyclobutyl)methylamino]methyl]phenol;hydrochloride
CID 115680456
4-methoxy-2-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenol
CID 79353071
2-[(but-2-ynylamino)methyl]-4-methoxyphenol
CID 115908793
1-[[(2,4-dimethoxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 63362793
1-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 60969780
2-methoxy-5-[[(1-methylcyclobutyl)methylamino]methyl]phenol
CID 103735804
5-methoxy-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol
CID 113429442
[1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexyl]methanol
CID 115683825
2-[(2-hydroxy-5-methoxyphenyl)methylamino]propane-1,3-diol
CID 65310161
2-[(3-hydroxybutylamino)methyl]-4-methoxyphenol
CID 64929896
2-[(2-ethoxyethylamino)methyl]-4-methoxyphenol
CID 43590666
2-fluoro-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol
CID 107685782

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[(1-methylcyclohexyl)methylamino]methyl]phenol?
The IUPAC name of 4-methoxy-2-[[(1-methylcyclohexyl)methylamino]methyl]phenol (CID 103923735) is 4-methoxy-2-[[(1-methylcyclohexyl)methylamino]methyl]phenol.
What is the SMILES notation for 4-methoxy-2-[[(1-methylcyclohexyl)methylamino]methyl]phenol?
The canonical SMILES for 4-methoxy-2-[[(1-methylcyclohexyl)methylamino]methyl]phenol is COc1ccc(O)c(CNCC2(C)CCCCC2)c1.
What is the InChIKey of 4-methoxy-2-[[(1-methylcyclohexyl)methylamino]methyl]phenol?
The InChIKey is KEMHDNOOTSFFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-16(8-4-3-5-9-16)12-17-11-13-10-14(19-2)6-7-15(13)18/h6-7,10,17-18H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of 4-methoxy-2-[[(1-methylcyclohexyl)methylamino]methyl]phenol?
4-methoxy-2-[[(1-methylcyclohexyl)methylamino]methyl]phenol has a molecular weight of 263.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[(1-methylcyclohexyl)methylamino]methyl]phenol is sourced from PubChem (CID 103923735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).