4-[[hydroxy(propan-2-yl)amino]methyl]phenol

C10H15NO2 — CID 10487648

IUPAC4-[[hydroxy(propan-2-yl)amino]methyl]phenol
SMILESCC(C)N(O)Cc1ccc(O)cc1
InChIInChI=1S/C10H15NO2/c1-8(2)11(13)7-9-3-5-10(12)6-4-9/h3-6,8,12-13H,7H2,1-2H3
InChIKeyVFSFWUKTUKYGQZ-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.99
Rot. Bonds3

About 4-[[hydroxy(propan-2-yl)amino]methyl]phenol

4-[[hydroxy(propan-2-yl)amino]methyl]phenol (PubChem CID 10487648) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-[[hydroxy(propan-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[hydroxy(propan-2-yl)amino]methyl]phenol
PubChem CID10487648
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name4-[[hydroxy(propan-2-yl)amino]methyl]phenol
SMILESCC(C)N(O)Cc1ccc(O)cc1
InChIInChI=1S/C10H15NO2/c1-8(2)11(13)7-9-3-5-10(12)6-4-9/h3-6,8,12-13H,7H2,1-2H3
InChIKeyVFSFWUKTUKYGQZ-UHFFFAOYSA-N
XLogP1.99
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-hydroxyphenyl)methyl]-N-methylpropane-2-sulfonamide
CID 61043511
ethane;4-[[3-methylbutyl(propan-2-yl)amino]methyl]phenol
CID 156850117
4-[[1-aminopropan-2-yl(methyl)amino]methyl]phenol
CID 104556834
N-[(4-hydroxyphenyl)methyl]-N-methylmethanesulfonamide
CID 61044122
4-[(2S)-2-aminopropyl]phenol;methanol
CID 142971966
2-[(4-hydroxyphenyl)methyl-methylsulfamoyl]propanoic acid
CID 54947444
(2S)-2-amino-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
CID 61146195
4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol
CID 103192624
(2R)-2-amino-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
CID 78973192
1-hydroxy-4-[[methyl(sulfamoyl)amino]methyl]benzene
CID 112689195
2-[carboxymethyl-[(4-hydroxyphenyl)methyl]amino]acetic acid
CID 23422378
4-[[methyl(methylamino)amino]methyl]phenol
CID 152516052

Frequently Asked Questions

What is the IUPAC name of 4-[[hydroxy(propan-2-yl)amino]methyl]phenol?
The IUPAC name of 4-[[hydroxy(propan-2-yl)amino]methyl]phenol (CID 10487648) is 4-[[hydroxy(propan-2-yl)amino]methyl]phenol.
What is the SMILES notation for 4-[[hydroxy(propan-2-yl)amino]methyl]phenol?
The canonical SMILES for 4-[[hydroxy(propan-2-yl)amino]methyl]phenol is CC(C)N(O)Cc1ccc(O)cc1.
What is the InChIKey of 4-[[hydroxy(propan-2-yl)amino]methyl]phenol?
The InChIKey is VFSFWUKTUKYGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-8(2)11(13)7-9-3-5-10(12)6-4-9/h3-6,8,12-13H,7H2,1-2H3.
What are the key properties of 4-[[hydroxy(propan-2-yl)amino]methyl]phenol?
4-[[hydroxy(propan-2-yl)amino]methyl]phenol has a molecular weight of 181.24 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[hydroxy(propan-2-yl)amino]methyl]phenol is sourced from PubChem (CID 10487648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).