[hydroxy(3-phenylpropyl)amino]methanol

C10H15NO2 — CID 5289329

IUPAC[hydroxy(3-phenylpropyl)amino]methanol
SMILESOCN(O)CCCc1ccccc1
InChIInChI=1S/C10H15NO2/c12-9-11(13)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,12-13H,4,7-9H2
InChIKeyGELOPWXSYZDPJT-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.26
Rot. Bonds5

About [hydroxy(3-phenylpropyl)amino]methanol

[hydroxy(3-phenylpropyl)amino]methanol (PubChem CID 5289329) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is [hydroxy(3-phenylpropyl)amino]methanol.

Molecular Properties

Compound Name[hydroxy(3-phenylpropyl)amino]methanol
PubChem CID5289329
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name[hydroxy(3-phenylpropyl)amino]methanol
SMILESOCN(O)CCCc1ccccc1
InChIInChI=1S/C10H15NO2/c12-9-11(13)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,12-13H,4,7-9H2
InChIKeyGELOPWXSYZDPJT-UHFFFAOYSA-N
XLogP1.26
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [hydroxy(3-phenylpropyl)amino]methanol?
The IUPAC name of [hydroxy(3-phenylpropyl)amino]methanol (CID 5289329) is [hydroxy(3-phenylpropyl)amino]methanol.
What is the SMILES notation for [hydroxy(3-phenylpropyl)amino]methanol?
The canonical SMILES for [hydroxy(3-phenylpropyl)amino]methanol is OCN(O)CCCc1ccccc1.
What is the InChIKey of [hydroxy(3-phenylpropyl)amino]methanol?
The InChIKey is GELOPWXSYZDPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c12-9-11(13)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,12-13H,4,7-9H2.
What are the key properties of [hydroxy(3-phenylpropyl)amino]methanol?
[hydroxy(3-phenylpropyl)amino]methanol has a molecular weight of 181.23 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(3-phenylpropyl)amino]methanol is sourced from PubChem (CID 5289329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).