1-[benzyl(hydroxy)amino]propan-2-ol

C10H15NO2 — CID 14957155

IUPAC1-[benzyl(hydroxy)amino]propan-2-ol
SMILESCC(O)CN(O)Cc1ccccc1
InChIInChI=1S/C10H15NO2/c1-9(12)7-11(13)8-10-5-3-2-4-6-10/h2-6,9,12-13H,7-8H2,1H3
InChIKeyPUQGGLTVXAXIFH-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.26
Rot. Bonds4

About 1-[benzyl(hydroxy)amino]propan-2-ol

1-[benzyl(hydroxy)amino]propan-2-ol (PubChem CID 14957155) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-[benzyl(hydroxy)amino]propan-2-ol.

Molecular Properties

Compound Name1-[benzyl(hydroxy)amino]propan-2-ol
PubChem CID14957155
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name1-[benzyl(hydroxy)amino]propan-2-ol
SMILESCC(O)CN(O)Cc1ccccc1
InChIInChI=1S/C10H15NO2/c1-9(12)7-11(13)8-10-5-3-2-4-6-10/h2-6,9,12-13H,7-8H2,1H3
InChIKeyPUQGGLTVXAXIFH-UHFFFAOYSA-N
XLogP1.26
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.26
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-benzyl-N-(2-hydroxypropyl)nitrous amide
CID 12684762
methyl 3-[benzyl(hydroxy)amino]-2-methylpropanoate
CID 13358917
1-[[3-[[bis(2-hydroxypropyl)amino]methyl]phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol
CID 22600659
1-(N-benzylanilino)ethanol
CID 19010703
(2R)-1-[[(2S)-2-hydroxypropyl]-[(4-phenylphenyl)methyl]amino]propan-2-ol
CID 26458234
cyclohexane;N,N-dibenzylhydroxylamine
CID 19709160
1-[benzyl(1-hydroxyethyl)amino]ethanol;hydrochloride
CID 173430538
3-[benzyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
CID 2765888
1-[benzyl(methyl)amino]-5-methylhexane-2,3,4-triol
CID 153440075
N-benzyl-N-(1-hydroxyethyl)acetamide
CID 54542101
(2R)-1-(N-methylanilino)propan-2-ol
CID 39236034
1-[benzyl(methyl)amino]-3-[ethyl(methyl)amino]propan-2-ol
CID 110929931

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(hydroxy)amino]propan-2-ol?
The IUPAC name of 1-[benzyl(hydroxy)amino]propan-2-ol (CID 14957155) is 1-[benzyl(hydroxy)amino]propan-2-ol.
What is the SMILES notation for 1-[benzyl(hydroxy)amino]propan-2-ol?
The canonical SMILES for 1-[benzyl(hydroxy)amino]propan-2-ol is CC(O)CN(O)Cc1ccccc1.
What is the InChIKey of 1-[benzyl(hydroxy)amino]propan-2-ol?
The InChIKey is PUQGGLTVXAXIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-9(12)7-11(13)8-10-5-3-2-4-6-10/h2-6,9,12-13H,7-8H2,1H3.
What are the key properties of 1-[benzyl(hydroxy)amino]propan-2-ol?
1-[benzyl(hydroxy)amino]propan-2-ol has a molecular weight of 181.24 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(hydroxy)amino]propan-2-ol is sourced from PubChem (CID 14957155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).