3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol

C13H19NO2 — CID 102679360

IUPAC3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
SMILESOCCN(Cc1cccc(O)c1)C1CCC1
InChIInChI=1S/C13H19NO2/c15-8-7-14(12-4-2-5-12)10-11-3-1-6-13(16)9-11/h1,3,6,9,12,15-16H,2,4-5,7-8,10H2
InChIKeyYQOXJFRLZZOBMI-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.74
Rot. Bonds5

About 3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol

3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol (PubChem CID 102679360) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol.

Molecular Properties

Compound Name3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
PubChem CID102679360
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
SMILESOCCN(Cc1cccc(O)c1)C1CCC1
InChIInChI=1S/C13H19NO2/c15-8-7-14(12-4-2-5-12)10-11-3-1-6-13(16)9-11/h1,3,6,9,12,15-16H,2,4-5,7-8,10H2
InChIKeyYQOXJFRLZZOBMI-UHFFFAOYSA-N
XLogP1.74
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
CID 102809822
3-[[(4-hydroxycyclohexyl)-(5-hydroxypentyl)amino]methyl]phenol
CID 111434933
3-[cyclopropyl-[(3-hydroxyphenyl)methyl]amino]propanoic acid
CID 65054828
3-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol
CID 82982762
3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]benzamide
CID 62016224
3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzohydrazide
CID 102873726
3-[[cyclopropyl(2-ethoxyethyl)amino]methyl]phenol
CID 56795293
3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide
CID 111112920
2-[cyclopentyl-[(3,4-dimethylphenyl)methyl]amino]ethanol
CID 62015858
3-[[(4-hydroxycyclohexyl)-[[4-(hydroxymethyl)phenyl]methyl]amino]methyl]phenol
CID 110009067
2-[[4-(aminomethyl)phenyl]methyl-cyclohexylamino]ethanol
CID 54993281
2-[cyclobutyl-[(3,5-difluorophenyl)methyl]amino]ethanol
CID 102676798

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol?
The IUPAC name of 3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol (CID 102679360) is 3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol.
What is the SMILES notation for 3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol?
The canonical SMILES for 3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol is OCCN(Cc1cccc(O)c1)C1CCC1.
What is the InChIKey of 3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol?
The InChIKey is YQOXJFRLZZOBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c15-8-7-14(12-4-2-5-12)10-11-3-1-6-13(16)9-11/h1,3,6,9,12,15-16H,2,4-5,7-8,10H2.
What are the key properties of 3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol?
3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol has a molecular weight of 221.30 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol is sourced from PubChem (CID 102679360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).