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

C16H25NO2 — CID 65116717

IUPAC2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]phenol
SMILESCC1CCCC(O)(CNC(C)c2ccccc2O)C1
InChIInChI=1S/C16H25NO2/c1-12-6-5-9-16(19,10-12)11-17-13(2)14-7-3-4-8-15(14)18/h3-4,7-8,12-13,17-19H,5-6,9-11H2,1-2H3
InChIKeyOUZZXILUMLDPRT-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.98
Rot. Bonds4

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

2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]phenol (PubChem CID 65116717) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]phenol
PubChem CID65116717
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]phenol
SMILESCC1CCCC(O)(CNC(C)c2ccccc2O)C1
InChIInChI=1S/C16H25NO2/c1-12-6-5-9-16(19,10-12)11-17-13(2)14-7-3-4-8-15(14)18/h3-4,7-8,12-13,17-19H,5-6,9-11H2,1-2H3
InChIKeyOUZZXILUMLDPRT-UHFFFAOYSA-N
XLogP2.98
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.98
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

3-methyl-1-[[1-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 65116779
2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]-4-methylphenol
CID 65117008
3-methyl-1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 65116819
2-[(1S)-1-[[1-[[[(1S)-1-(2-hydroxyphenyl)ethyl]amino]methyl]cyclopropyl]methylamino]ethyl]phenol
CID 71049425
1-[[1-(2-fluoro-4-methoxyphenyl)ethylamino]methyl]-3-methylcyclohexan-1-ol
CID 65117105
3-[[1-(2-hydroxyphenyl)ethylamino]methyl]oxolan-3-ol
CID 113383834
1-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]-3-methylcyclohexan-1-ol
CID 65116917
1-[(1-aminopropan-2-ylamino)methyl]-3-methylcyclohexan-1-ol
CID 103390168
2-[1-[(1-propylcyclopropyl)methylamino]ethyl]phenol
CID 113383829
3-methyl-1-[[(3-methyl-2-phenylbutyl)amino]methyl]cyclohexan-1-ol
CID 107876213
3-methyl-1-[(propan-2-ylamino)methyl]cyclopentan-1-ol
CID 64515514
4-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]benzene-1,3-diol
CID 65105787

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]phenol?
The IUPAC name of 2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]phenol (CID 65116717) is 2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]phenol.
What is the SMILES notation for 2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]phenol?
The canonical SMILES for 2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]phenol is CC1CCCC(O)(CNC(C)c2ccccc2O)C1.
What is the InChIKey of 2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]phenol?
The InChIKey is OUZZXILUMLDPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-6-5-9-16(19,10-12)11-17-13(2)14-7-3-4-8-15(14)18/h3-4,7-8,12-13,17-19H,5-6,9-11H2,1-2H3.
What are the key properties of 2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]phenol?
2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]phenol has a molecular weight of 263.38 g/mol, XLogP of 2.98, 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]phenol is sourced from PubChem (CID 65116717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).