5-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]-2-methoxyphenol

C17H27NO3 — CID 65115532

IUPAC5-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CNCC2(O)CCC(C)(C)CC2)cc1O
InChIInChI=1S/C17H27NO3/c1-16(2)6-8-17(20,9-7-16)12-18-11-13-4-5-15(21-3)14(19)10-13/h4-5,10,18-20H,6-9,11-12H2,1-3H3
InChIKeyXWLXOOYMWIZHDD-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.82
Rot. Bonds5

About 5-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]-2-methoxyphenol

5-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]-2-methoxyphenol (PubChem CID 65115532) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 5-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]-2-methoxyphenol
PubChem CID65115532
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name5-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CNCC2(O)CCC(C)(C)CC2)cc1O
InChIInChI=1S/C17H27NO3/c1-16(2)6-8-17(20,9-7-16)12-18-11-13-4-5-15(21-3)14(19)10-13/h4-5,10,18-20H,6-9,11-12H2,1-3H3
InChIKeyXWLXOOYMWIZHDD-UHFFFAOYSA-N
XLogP2.82
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-[[(1-methylcyclobutyl)methylamino]methyl]phenol
CID 103735804
4-[[(1-hydroxycyclobutyl)methylamino]methyl]-2-methoxyphenol
CID 115978586
1-[[(3-chloro-4-methylphenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 106816883
4-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]thian-4-ol
CID 111436782
4-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]oxan-4-ol
CID 78928791
4-ethyl-1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 65116509
1-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 104791871
5-[(2-ethylbutylamino)methyl]-2-methoxyphenol
CID 83295597
2,6-dibromo-4-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]phenol
CID 107740849
2-methoxy-5-[[(2-methylcyclohexyl)methylamino]methyl]phenol
CID 55013429
1-[[(3,5-dichlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65117143
5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-2-methoxyphenol
CID 111421897

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]-2-methoxyphenol (CID 65115532) is 5-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]-2-methoxyphenol is COc1ccc(CNCC2(O)CCC(C)(C)CC2)cc1O.
What is the InChIKey of 5-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]-2-methoxyphenol?
The InChIKey is XWLXOOYMWIZHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-16(2)6-8-17(20,9-7-16)12-18-11-13-4-5-15(21-3)14(19)10-13/h4-5,10,18-20H,6-9,11-12H2,1-3H3.
What are the key properties of 5-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]-2-methoxyphenol?
5-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]-2-methoxyphenol has a molecular weight of 293.41 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]-2-methoxyphenol is sourced from PubChem (CID 65115532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).