2-[benzyl(2-hydroxyethyl)amino]-1-phenylethanol

C17H21NO2 — CID 3869797

IUPAC2-[benzyl(2-hydroxyethyl)amino]-1-phenylethanol
SMILESOCCN(Cc1ccccc1)CC(O)c1ccccc1
InChIInChI=1S/C17H21NO2/c19-12-11-18(13-15-7-3-1-4-8-15)14-17(20)16-9-5-2-6-10-16/h1-10,17,19-20H,11-14H2
InChIKeyYACKUJVZHUOMIV-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.21
Rot. Bonds7

About 2-[benzyl(2-hydroxyethyl)amino]-1-phenylethanol

2-[benzyl(2-hydroxyethyl)amino]-1-phenylethanol (PubChem CID 3869797) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[benzyl(2-hydroxyethyl)amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[benzyl(2-hydroxyethyl)amino]-1-phenylethanol
PubChem CID3869797
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-[benzyl(2-hydroxyethyl)amino]-1-phenylethanol
SMILESOCCN(Cc1ccccc1)CC(O)c1ccccc1
InChIInChI=1S/C17H21NO2/c19-12-11-18(13-15-7-3-1-4-8-15)14-17(20)16-9-5-2-6-10-16/h1-10,17,19-20H,11-14H2
InChIKeyYACKUJVZHUOMIV-UHFFFAOYSA-N
XLogP2.21
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.21
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]-1-phenylethanol?
The IUPAC name of 2-[benzyl(2-hydroxyethyl)amino]-1-phenylethanol (CID 3869797) is 2-[benzyl(2-hydroxyethyl)amino]-1-phenylethanol.
What is the SMILES notation for 2-[benzyl(2-hydroxyethyl)amino]-1-phenylethanol?
The canonical SMILES for 2-[benzyl(2-hydroxyethyl)amino]-1-phenylethanol is OCCN(Cc1ccccc1)CC(O)c1ccccc1.
What is the InChIKey of 2-[benzyl(2-hydroxyethyl)amino]-1-phenylethanol?
The InChIKey is YACKUJVZHUOMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c19-12-11-18(13-15-7-3-1-4-8-15)14-17(20)16-9-5-2-6-10-16/h1-10,17,19-20H,11-14H2.
What are the key properties of 2-[benzyl(2-hydroxyethyl)amino]-1-phenylethanol?
2-[benzyl(2-hydroxyethyl)amino]-1-phenylethanol has a molecular weight of 271.36 g/mol, XLogP of 2.21, 7 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]-1-phenylethanol is sourced from PubChem (CID 3869797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).