2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]-4-methylphenol

C17H27NO2 — CID 65117008

IUPAC2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]-4-methylphenol
SMILESCc1ccc(O)c(C(C)NCC2(O)CCCC(C)C2)c1
InChIInChI=1S/C17H27NO2/c1-12-6-7-16(19)15(9-12)14(3)18-11-17(20)8-4-5-13(2)10-17/h6-7,9,13-14,18-20H,4-5,8,10-11H2,1-3H3
InChIKeyRJMCDWICUHNIOL-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.29
Rot. Bonds4

About 2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]-4-methylphenol

2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]-4-methylphenol (PubChem CID 65117008) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]-4-methylphenol.

Molecular Properties

Compound Name2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]-4-methylphenol
PubChem CID65117008
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]-4-methylphenol
SMILESCc1ccc(O)c(C(C)NCC2(O)CCCC(C)C2)c1
InChIInChI=1S/C17H27NO2/c1-12-6-7-16(19)15(9-12)14(3)18-11-17(20)8-4-5-13(2)10-17/h6-7,9,13-14,18-20H,4-5,8,10-11H2,1-3H3
InChIKeyRJMCDWICUHNIOL-UHFFFAOYSA-N
XLogP3.29
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.29
H-Bond Donors ≤ 53
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-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]phenol
CID 65116717
2-[1-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]ethyl]-4-methylphenol
CID 65115152
3-methyl-1-[[1-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 65116779
4-methyl-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol
CID 104583343
2-[1-[(1-hydroxycyclobutyl)methylamino]ethyl]-5-methylphenol
CID 104582377
3-methyl-1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 65116819
2-[1-[(1-hydroxycyclohexyl)methylamino]ethyl]-5-methylphenol
CID 65107647
1-[[1-(2-fluoro-4-methoxyphenyl)ethylamino]methyl]-3-methylcyclohexan-1-ol
CID 65117105
4-methyl-2-[1-[(1-methylsulfanylcyclopropyl)methylamino]ethyl]phenol
CID 107270122
2-[1-[(1-hydroxy-4-methylcyclohexyl)methylamino]ethyl]-4-methoxyphenol
CID 65115330
1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122847
2-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]-4-methoxyphenol
CID 65107155

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]-4-methylphenol?
The IUPAC name of 2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]-4-methylphenol (CID 65117008) is 2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]-4-methylphenol.
What is the SMILES notation for 2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]-4-methylphenol?
The canonical SMILES for 2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]-4-methylphenol is Cc1ccc(O)c(C(C)NCC2(O)CCCC(C)C2)c1.
What is the InChIKey of 2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]-4-methylphenol?
The InChIKey is RJMCDWICUHNIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12-6-7-16(19)15(9-12)14(3)18-11-17(20)8-4-5-13(2)10-17/h6-7,9,13-14,18-20H,4-5,8,10-11H2,1-3H3.
What are the key properties of 2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]-4-methylphenol?
2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]-4-methylphenol has a molecular weight of 277.41 g/mol, XLogP of 3.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]-4-methylphenol is sourced from PubChem (CID 65117008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).