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

C13H20N2O2 — CID 102860411

IUPAC4-amino-2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
SMILESNc1ccc(O)c(CN(CCO)C2CCC2)c1
InChIInChI=1S/C13H20N2O2/c14-11-4-5-13(17)10(8-11)9-15(6-7-16)12-2-1-3-12/h4-5,8,12,16-17H,1-3,6-7,9,14H2
InChIKeyYMUGSIABDPUODC-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.32
Rot. Bonds5

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

4-amino-2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol (PubChem CID 102860411) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-amino-2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-amino-2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
PubChem CID102860411
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-amino-2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
SMILESNc1ccc(O)c(CN(CCO)C2CCC2)c1
InChIInChI=1S/C13H20N2O2/c14-11-4-5-13(17)10(8-11)9-15(6-7-16)12-2-1-3-12/h4-5,8,12,16-17H,1-3,6-7,9,14H2
InChIKeyYMUGSIABDPUODC-UHFFFAOYSA-N
XLogP1.32
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-amino-2-fluorophenyl)methyl-cyclohexylamino]ethanol
CID 64768267
2-[(5-amino-2-methoxyphenyl)methyl-cyclopropylamino]ethanol
CID 54995976
4-amino-2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]phenol
CID 61434027
4-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
CID 102809822
2-[cyclobutyl(naphthalen-1-ylmethyl)amino]ethanol
CID 102677069
4-amino-2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]phenol
CID 54994704
3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
CID 102679360
2-[(2-bromo-4-fluorophenyl)methyl-cyclobutylamino]ethanol
CID 102676936
2-[(4-chloro-2-fluorophenyl)methyl-cyclohexylamino]ethanol
CID 114858042
2-[cyclobutyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol
CID 102676925
4-chloro-3-[[cyclopentyl(ethyl)amino]methyl]aniline
CID 43540735
2-amino-6-[[cyclohexyl(2-hydroxyethyl)amino]methyl]benzoic acid
CID 104824537

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol?
The IUPAC name of 4-amino-2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol (CID 102860411) is 4-amino-2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol.
What is the SMILES notation for 4-amino-2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol?
The canonical SMILES for 4-amino-2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol is Nc1ccc(O)c(CN(CCO)C2CCC2)c1.
What is the InChIKey of 4-amino-2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol?
The InChIKey is YMUGSIABDPUODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c14-11-4-5-13(17)10(8-11)9-15(6-7-16)12-2-1-3-12/h4-5,8,12,16-17H,1-3,6-7,9,14H2.
What are the key properties of 4-amino-2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol?
4-amino-2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol has a molecular weight of 236.31 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol is sourced from PubChem (CID 102860411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).