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

C12H19NO2 — CID 3057202

IUPAC2-[benzyl(2-hydroxyethyl)amino]propan-1-ol
SMILESCC(CO)N(CCO)Cc1ccccc1
InChIInChI=1S/C12H19NO2/c1-11(10-15)13(7-8-14)9-12-5-3-2-4-6-12/h2-6,11,14-15H,7-10H2,1H3
InChIKeyBWDVWNULJDLPRM-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.86
Rot. Bonds6

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

2-[benzyl(2-hydroxyethyl)amino]propan-1-ol (PubChem CID 3057202) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[benzyl(2-hydroxyethyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[benzyl(2-hydroxyethyl)amino]propan-1-ol
PubChem CID3057202
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-[benzyl(2-hydroxyethyl)amino]propan-1-ol
SMILESCC(CO)N(CCO)Cc1ccccc1
InChIInChI=1S/C12H19NO2/c1-11(10-15)13(7-8-14)9-12-5-3-2-4-6-12/h2-6,11,14-15H,7-10H2,1H3
InChIKeyBWDVWNULJDLPRM-UHFFFAOYSA-N
XLogP0.86
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.86
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?
The IUPAC name of 2-[benzyl(2-hydroxyethyl)amino]propan-1-ol (CID 3057202) is 2-[benzyl(2-hydroxyethyl)amino]propan-1-ol.
What is the SMILES notation for 2-[benzyl(2-hydroxyethyl)amino]propan-1-ol?
The canonical SMILES for 2-[benzyl(2-hydroxyethyl)amino]propan-1-ol is CC(CO)N(CCO)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(2-hydroxyethyl)amino]propan-1-ol?
The InChIKey is BWDVWNULJDLPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-11(10-15)13(7-8-14)9-12-5-3-2-4-6-12/h2-6,11,14-15H,7-10H2,1H3.
What are the key properties of 2-[benzyl(2-hydroxyethyl)amino]propan-1-ol?
2-[benzyl(2-hydroxyethyl)amino]propan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 0.86, 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 is sourced from PubChem (CID 3057202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).