4-[(1-cyclohexylpropylamino)methyl]-2-methoxyphenol

C17H27NO2 — CID 62405202

IUPAC4-[(1-cyclohexylpropylamino)methyl]-2-methoxyphenol
SMILESCCC(NCc1ccc(O)c(OC)c1)C1CCCCC1
InChIInChI=1S/C17H27NO2/c1-3-15(14-7-5-4-6-8-14)18-12-13-9-10-16(19)17(11-13)20-2/h9-11,14-15,18-19H,3-8,12H2,1-2H3
InChIKeyGTMVKPVZGIBCEV-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.85
Rot. Bonds6

About 4-[(1-cyclohexylpropylamino)methyl]-2-methoxyphenol

4-[(1-cyclohexylpropylamino)methyl]-2-methoxyphenol (PubChem CID 62405202) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-[(1-cyclohexylpropylamino)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(1-cyclohexylpropylamino)methyl]-2-methoxyphenol
PubChem CID62405202
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name4-[(1-cyclohexylpropylamino)methyl]-2-methoxyphenol
SMILESCCC(NCc1ccc(O)c(OC)c1)C1CCCCC1
InChIInChI=1S/C17H27NO2/c1-3-15(14-7-5-4-6-8-14)18-12-13-9-10-16(19)17(11-13)20-2/h9-11,14-15,18-19H,3-8,12H2,1-2H3
InChIKeyGTMVKPVZGIBCEV-UHFFFAOYSA-N
XLogP3.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-methoxyphenol
CID 81391316
4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2-methoxyphenol
CID 81396225
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-ethoxyphenol
CID 81390490
2-methoxy-4-[[1-(oxan-4-yl)ethylamino]methyl]phenol
CID 103779359
2-[(4-hydroxy-3-methoxyphenyl)methylamino]butanoic acid
CID 82364241
1-cyclohexyl-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 63478547
1-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 62407334
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
CID 62633318
1-cyclohexyl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine
CID 103437768
1-cyclohexyl-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 104791765
2-methoxy-4-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]phenol
CID 65470463
4-[[(4-aminocyclohexyl)amino]methyl]-2-methoxyphenol
CID 62312790

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclohexylpropylamino)methyl]-2-methoxyphenol?
The IUPAC name of 4-[(1-cyclohexylpropylamino)methyl]-2-methoxyphenol (CID 62405202) is 4-[(1-cyclohexylpropylamino)methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(1-cyclohexylpropylamino)methyl]-2-methoxyphenol?
The canonical SMILES for 4-[(1-cyclohexylpropylamino)methyl]-2-methoxyphenol is CCC(NCc1ccc(O)c(OC)c1)C1CCCCC1.
What is the InChIKey of 4-[(1-cyclohexylpropylamino)methyl]-2-methoxyphenol?
The InChIKey is GTMVKPVZGIBCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-15(14-7-5-4-6-8-14)18-12-13-9-10-16(19)17(11-13)20-2/h9-11,14-15,18-19H,3-8,12H2,1-2H3.
What are the key properties of 4-[(1-cyclohexylpropylamino)methyl]-2-methoxyphenol?
4-[(1-cyclohexylpropylamino)methyl]-2-methoxyphenol has a molecular weight of 277.41 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclohexylpropylamino)methyl]-2-methoxyphenol is sourced from PubChem (CID 62405202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).