2-[benzyl(2-hydroxyethyl)amino]propan-1-ol;hydrochloride

C12H20ClNO2 — CID 3057201

IUPAC2-[benzyl(2-hydroxyethyl)amino]propan-1-ol;hydrochloride
SMILESCC(CO)N(CCO)Cc1ccccc1.Cl
InChIInChI=1S/C12H19NO2.ClH/c1-11(10-15)13(7-8-14)9-12-5-3-2-4-6-12;/h2-6,11,14-15H,7-10H2,1H3;1H
InChIKeyLPIAFQMRIFLKGB-UHFFFAOYSA-N
MW245.75 g/mol
LogP1.28
Rot. Bonds6

About 2-[benzyl(2-hydroxyethyl)amino]propan-1-ol;hydrochloride

2-[benzyl(2-hydroxyethyl)amino]propan-1-ol;hydrochloride (PubChem CID 3057201) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is 2-[benzyl(2-hydroxyethyl)amino]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-[benzyl(2-hydroxyethyl)amino]propan-1-ol;hydrochloride
PubChem CID3057201
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC Name2-[benzyl(2-hydroxyethyl)amino]propan-1-ol;hydrochloride
SMILESCC(CO)N(CCO)Cc1ccccc1.Cl
InChIInChI=1S/C12H19NO2.ClH/c1-11(10-15)13(7-8-14)9-12-5-3-2-4-6-12;/h2-6,11,14-15H,7-10H2,1H3;1H
InChIKeyLPIAFQMRIFLKGB-UHFFFAOYSA-N
XLogP1.28
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(2-hydroxyethyl)amino]propan-1-ol;hydrochloride?
The IUPAC name of 2-[benzyl(2-hydroxyethyl)amino]propan-1-ol;hydrochloride (CID 3057201) is 2-[benzyl(2-hydroxyethyl)amino]propan-1-ol;hydrochloride.
What is the SMILES notation for 2-[benzyl(2-hydroxyethyl)amino]propan-1-ol;hydrochloride?
The canonical SMILES for 2-[benzyl(2-hydroxyethyl)amino]propan-1-ol;hydrochloride is CC(CO)N(CCO)Cc1ccccc1.Cl.
What is the InChIKey of 2-[benzyl(2-hydroxyethyl)amino]propan-1-ol;hydrochloride?
The InChIKey is LPIAFQMRIFLKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2.ClH/c1-11(10-15)13(7-8-14)9-12-5-3-2-4-6-12;/h2-6,11,14-15H,7-10H2,1H3;1H.
What are the key properties of 2-[benzyl(2-hydroxyethyl)amino]propan-1-ol;hydrochloride?
2-[benzyl(2-hydroxyethyl)amino]propan-1-ol;hydrochloride has a molecular weight of 245.75 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(2-hydroxyethyl)amino]propan-1-ol;hydrochloride is sourced from PubChem (CID 3057201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).