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

C17H27NO3 — CID 65115330

IUPAC2-[1-[(1-hydroxy-4-methylcyclohexyl)methylamino]ethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)NCC2(O)CCC(C)CC2)c1
InChIInChI=1S/C17H27NO3/c1-12-6-8-17(20,9-7-12)11-18-13(2)15-10-14(21-3)4-5-16(15)19/h4-5,10,12-13,18-20H,6-9,11H2,1-3H3
InChIKeyFWHIPMSPUAAYKV-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.99
Rot. Bonds5

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

2-[1-[(1-hydroxy-4-methylcyclohexyl)methylamino]ethyl]-4-methoxyphenol (PubChem CID 65115330) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[1-[(1-hydroxy-4-methylcyclohexyl)methylamino]ethyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[1-[(1-hydroxy-4-methylcyclohexyl)methylamino]ethyl]-4-methoxyphenol
PubChem CID65115330
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-[1-[(1-hydroxy-4-methylcyclohexyl)methylamino]ethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)NCC2(O)CCC(C)CC2)c1
InChIInChI=1S/C17H27NO3/c1-12-6-8-17(20,9-7-12)11-18-13(2)15-10-14(21-3)4-5-16(15)19/h4-5,10,12-13,18-20H,6-9,11H2,1-3H3
InChIKeyFWHIPMSPUAAYKV-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]-4-methoxyphenol
CID 65107155
2-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]-4-methoxyphenol
CID 103965826
4-methoxy-2-[1-(prop-2-ynylamino)ethyl]phenol
CID 43189507
2-[1-(but-2-ynylamino)ethyl]-4-methoxyphenol
CID 115900748
5-[1-[(1-hydroxy-4-methylcyclohexyl)methylamino]ethyl]benzene-1,3-diol
CID 107706669
4-[[1-(2,5-dimethoxyphenyl)ethylamino]methyl]oxan-4-ol
CID 81134000
1-[[1-(2-fluoro-4-methoxyphenyl)ethylamino]methyl]-3-methylcyclohexan-1-ol
CID 65117105
2-[1-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]ethyl]-4-methylphenol
CID 65115152
2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-4-methoxyphenol
CID 64927300
2-[1-(2-bicyclo[2.2.1]heptanylmethylamino)ethyl]-4-methoxyphenol
CID 63682765
2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]-4-methylphenol
CID 65117008
5-methoxy-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol
CID 113429442

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-hydroxy-4-methylcyclohexyl)methylamino]ethyl]-4-methoxyphenol?
The IUPAC name of 2-[1-[(1-hydroxy-4-methylcyclohexyl)methylamino]ethyl]-4-methoxyphenol (CID 65115330) is 2-[1-[(1-hydroxy-4-methylcyclohexyl)methylamino]ethyl]-4-methoxyphenol.
What is the SMILES notation for 2-[1-[(1-hydroxy-4-methylcyclohexyl)methylamino]ethyl]-4-methoxyphenol?
The canonical SMILES for 2-[1-[(1-hydroxy-4-methylcyclohexyl)methylamino]ethyl]-4-methoxyphenol is COc1ccc(O)c(C(C)NCC2(O)CCC(C)CC2)c1.
What is the InChIKey of 2-[1-[(1-hydroxy-4-methylcyclohexyl)methylamino]ethyl]-4-methoxyphenol?
The InChIKey is FWHIPMSPUAAYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-12-6-8-17(20,9-7-12)11-18-13(2)15-10-14(21-3)4-5-16(15)19/h4-5,10,12-13,18-20H,6-9,11H2,1-3H3.
What are the key properties of 2-[1-[(1-hydroxy-4-methylcyclohexyl)methylamino]ethyl]-4-methoxyphenol?
2-[1-[(1-hydroxy-4-methylcyclohexyl)methylamino]ethyl]-4-methoxyphenol has a molecular weight of 293.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-hydroxy-4-methylcyclohexyl)methylamino]ethyl]-4-methoxyphenol is sourced from PubChem (CID 65115330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).