2-[1-[(1-hydroxycyclohexyl)methylamino]ethyl]-5-methylphenol

C16H25NO2 — CID 65107647

IUPAC2-[1-[(1-hydroxycyclohexyl)methylamino]ethyl]-5-methylphenol
SMILESCc1ccc(C(C)NCC2(O)CCCCC2)c(O)c1
InChIInChI=1S/C16H25NO2/c1-12-6-7-14(15(18)10-12)13(2)17-11-16(19)8-4-3-5-9-16/h6-7,10,13,17-19H,3-5,8-9,11H2,1-2H3
InChIKeyOVZVJTIDRNKELT-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.05
Rot. Bonds4

About 2-[1-[(1-hydroxycyclohexyl)methylamino]ethyl]-5-methylphenol

2-[1-[(1-hydroxycyclohexyl)methylamino]ethyl]-5-methylphenol (PubChem CID 65107647) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[1-[(1-hydroxycyclohexyl)methylamino]ethyl]-5-methylphenol.

Molecular Properties

Compound Name2-[1-[(1-hydroxycyclohexyl)methylamino]ethyl]-5-methylphenol
PubChem CID65107647
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[1-[(1-hydroxycyclohexyl)methylamino]ethyl]-5-methylphenol
SMILESCc1ccc(C(C)NCC2(O)CCCCC2)c(O)c1
InChIInChI=1S/C16H25NO2/c1-12-6-7-14(15(18)10-12)13(2)17-11-16(19)8-4-3-5-9-16/h6-7,10,13,17-19H,3-5,8-9,11H2,1-2H3
InChIKeyOVZVJTIDRNKELT-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-[(1-hydroxycyclohexyl)methylamino]ethyl]-5-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(1-hydroxycyclobutyl)methylamino]ethyl]-5-methylphenol
CID 104582377
1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122847
4-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]benzene-1,3-diol
CID 65105787
1-[[1-(4-fluoro-2-hydroxyphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65123420
2-[1-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]ethyl]-4-methylphenol
CID 65115152
1-[[1-(2,4,5-trimethylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122891
1-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol
CID 81355924
2-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]-5-methylphenol
CID 104583457
2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]-4-methylphenol
CID 65117008
1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol
CID 54965220
1-[[1-(2-chloro-4-fluorophenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65123525
2-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]-4-methoxyphenol
CID 65107155

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-hydroxycyclohexyl)methylamino]ethyl]-5-methylphenol?
The IUPAC name of 2-[1-[(1-hydroxycyclohexyl)methylamino]ethyl]-5-methylphenol (CID 65107647) is 2-[1-[(1-hydroxycyclohexyl)methylamino]ethyl]-5-methylphenol.
What is the SMILES notation for 2-[1-[(1-hydroxycyclohexyl)methylamino]ethyl]-5-methylphenol?
The canonical SMILES for 2-[1-[(1-hydroxycyclohexyl)methylamino]ethyl]-5-methylphenol is Cc1ccc(C(C)NCC2(O)CCCCC2)c(O)c1.
What is the InChIKey of 2-[1-[(1-hydroxycyclohexyl)methylamino]ethyl]-5-methylphenol?
The InChIKey is OVZVJTIDRNKELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-6-7-14(15(18)10-12)13(2)17-11-16(19)8-4-3-5-9-16/h6-7,10,13,17-19H,3-5,8-9,11H2,1-2H3.
What are the key properties of 2-[1-[(1-hydroxycyclohexyl)methylamino]ethyl]-5-methylphenol?
2-[1-[(1-hydroxycyclohexyl)methylamino]ethyl]-5-methylphenol has a molecular weight of 263.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-hydroxycyclohexyl)methylamino]ethyl]-5-methylphenol is sourced from PubChem (CID 65107647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).