2-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-5-methylphenol

C15H23NO2 — CID 114629009

IUPAC2-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-5-methylphenol
SMILESCc1ccc(C(C)NC2CC(O)C2(C)C)c(O)c1
InChIInChI=1S/C15H23NO2/c1-9-5-6-11(12(17)7-9)10(2)16-13-8-14(18)15(13,3)4/h5-7,10,13-14,16-18H,8H2,1-4H3
InChIKeyILBPRQMPLHTOKQ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.51
Rot. Bonds3

About 2-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-5-methylphenol

2-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-5-methylphenol (PubChem CID 114629009) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-5-methylphenol.

Molecular Properties

Compound Name2-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-5-methylphenol
PubChem CID114629009
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-5-methylphenol
SMILESCc1ccc(C(C)NC2CC(O)C2(C)C)c(O)c1
InChIInChI=1S/C15H23NO2/c1-9-5-6-11(12(17)7-9)10(2)16-13-8-14(18)15(13,3)4/h5-7,10,13-14,16-18H,8H2,1-4H3
InChIKeyILBPRQMPLHTOKQ-UHFFFAOYSA-N
XLogP2.51
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]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

3-Hydroxy-alpha-(((1-methylethyl)amino)methyl)benzenemethanol
CID 19136
2-{[(1-Phenylethyl)amino]methyl}phenol
CID 3669487
2-[(Butylamino)methyl]phenol
CID 487839
Ciramadol
CID 44463
GNF-Pf-5310
CID 241056
Phenol, 3-((dimethylamino)(2-hydroxycyclohexyl)methyl)-, hydrochloride, (1R-(1alpha(R*),2alpha))-
CID 44462
2-[(Cyclohexylamino)methyl]-5-methyl-phenol
CID 82676100
2-[(Cyclopropylmethylamino)methyl]-5-methyl-phenol
CID 118725716
2-[1-(Benzylamino)ethyl]phenol
CID 2731803
o-Cresol, alpha-(hexylamino)-
CID 60211
o-Cresol, alpha-(decylamino)-
CID 60212
(2-Hydroxybenzyl)(2-hydroxyethyl)amine
CID 96180

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-5-methylphenol?
The IUPAC name of 2-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-5-methylphenol (CID 114629009) is 2-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-5-methylphenol.
What is the SMILES notation for 2-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-5-methylphenol?
The canonical SMILES for 2-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-5-methylphenol is Cc1ccc(C(C)NC2CC(O)C2(C)C)c(O)c1.
What is the InChIKey of 2-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-5-methylphenol?
The InChIKey is ILBPRQMPLHTOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-9-5-6-11(12(17)7-9)10(2)16-13-8-14(18)15(13,3)4/h5-7,10,13-14,16-18H,8H2,1-4H3.
What are the key properties of 2-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-5-methylphenol?
2-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-5-methylphenol has a molecular weight of 249.35 g/mol, XLogP of 2.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-5-methylphenol is sourced from PubChem (CID 114629009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).