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

C13H19NO2 — CID 102809822

IUPAC4-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
SMILESOCCN(Cc1ccc(O)cc1)C1CCC1
InChIInChI=1S/C13H19NO2/c15-9-8-14(12-2-1-3-12)10-11-4-6-13(16)7-5-11/h4-7,12,15-16H,1-3,8-10H2
InChIKeyXNKMAQBVMKSQIN-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.74
Rot. Bonds5

About 4-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol

4-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol (PubChem CID 102809822) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
PubChem CID102809822
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
SMILESOCCN(Cc1ccc(O)cc1)C1CCC1
InChIInChI=1S/C13H19NO2/c15-9-8-14(12-2-1-3-12)10-11-4-6-13(16)7-5-11/h4-7,12,15-16H,1-3,8-10H2
InChIKeyXNKMAQBVMKSQIN-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-[[2-chloroethyl(cyclobutyl)amino]methyl]phenol
CID 102861348
2-[cyclobutyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 102676667
2-[[4-(aminomethyl)phenyl]methyl-cyclohexylamino]ethanol
CID 54993281
2-[cyclohexyl-[(4-iodophenyl)methyl]amino]ethanol
CID 65478154
3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
CID 102679360
2-[cyclopentyl(pyridin-4-ylmethyl)amino]ethanol
CID 62014276
2-[cyclopentyl-[(4-methoxyphenyl)methyl]amino]ethanol
CID 62015643
2-[cyclobutyl-[(4-nitrophenyl)methyl]amino]ethanol
CID 102676847
2-[cyclopentyl-[(3,4-dimethylphenyl)methyl]amino]ethanol
CID 62015858
2-[cyclobutyl-[(3,5-difluorophenyl)methyl]amino]ethanol
CID 102676798
4-[[cyclopropyl(2-hydroxyethyl)amino]methyl]benzenecarbothioamide
CID 54995340
2-[cyclopentyl-[(4-hydroxyphenyl)methyl]amino]acetamide
CID 82973746

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol?
The IUPAC name of 4-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol (CID 102809822) is 4-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol.
What is the SMILES notation for 4-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol?
The canonical SMILES for 4-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol is OCCN(Cc1ccc(O)cc1)C1CCC1.
What is the InChIKey of 4-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol?
The InChIKey is XNKMAQBVMKSQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c15-9-8-14(12-2-1-3-12)10-11-4-6-13(16)7-5-11/h4-7,12,15-16H,1-3,8-10H2.
What are the key properties of 4-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol?
4-[[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 4-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol is sourced from PubChem (CID 102809822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).