2-[benzyl(2-hydroxyethyl)amino]-1,2-diphenylethanol;hydrochloride

C23H26ClNO2 — CID 54599890

IUPAC2-[benzyl(2-hydroxyethyl)amino]-1,2-diphenylethanol;hydrochloride
SMILESCl.OCCN(Cc1ccccc1)C(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C23H25NO2.ClH/c25-17-16-24(18-19-10-4-1-5-11-19)22(20-12-6-2-7-13-20)23(26)21-14-8-3-9-15-21;/h1-15,22-23,25-26H,16-18H2;1H
InChIKeyYVOMVPILAOGEOW-UHFFFAOYSA-N
MW383.92 g/mol
LogP4.38
Rot. Bonds8

About 2-[benzyl(2-hydroxyethyl)amino]-1,2-diphenylethanol;hydrochloride

2-[benzyl(2-hydroxyethyl)amino]-1,2-diphenylethanol;hydrochloride (PubChem CID 54599890) has the molecular formula C23H26ClNO2 and a molecular weight of 383.92 g/mol. Its IUPAC name is 2-[benzyl(2-hydroxyethyl)amino]-1,2-diphenylethanol;hydrochloride.

Molecular Properties

Compound Name2-[benzyl(2-hydroxyethyl)amino]-1,2-diphenylethanol;hydrochloride
PubChem CID54599890
Molecular FormulaC23H26ClNO2
Molecular Weight383.92 g/mol
Exact Mass383.17
IUPAC Name2-[benzyl(2-hydroxyethyl)amino]-1,2-diphenylethanol;hydrochloride
SMILESCl.OCCN(Cc1ccccc1)C(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C23H25NO2.ClH/c25-17-16-24(18-19-10-4-1-5-11-19)22(20-12-6-2-7-13-20)23(26)21-14-8-3-9-15-21;/h1-15,22-23,25-26H,16-18H2;1H
InChIKeyYVOMVPILAOGEOW-UHFFFAOYSA-N
XLogP4.38
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 54.38
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]-1,2-diphenylethanol;hydrochloride?
The IUPAC name of 2-[benzyl(2-hydroxyethyl)amino]-1,2-diphenylethanol;hydrochloride (CID 54599890) is 2-[benzyl(2-hydroxyethyl)amino]-1,2-diphenylethanol;hydrochloride.
What is the SMILES notation for 2-[benzyl(2-hydroxyethyl)amino]-1,2-diphenylethanol;hydrochloride?
The canonical SMILES for 2-[benzyl(2-hydroxyethyl)amino]-1,2-diphenylethanol;hydrochloride is Cl.OCCN(Cc1ccccc1)C(c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of 2-[benzyl(2-hydroxyethyl)amino]-1,2-diphenylethanol;hydrochloride?
The InChIKey is YVOMVPILAOGEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2.ClH/c25-17-16-24(18-19-10-4-1-5-11-19)22(20-12-6-2-7-13-20)23(26)21-14-8-3-9-15-21;/h1-15,22-23,25-26H,16-18H2;1H.
What are the key properties of 2-[benzyl(2-hydroxyethyl)amino]-1,2-diphenylethanol;hydrochloride?
2-[benzyl(2-hydroxyethyl)amino]-1,2-diphenylethanol;hydrochloride has a molecular weight of 383.92 g/mol, XLogP of 4.38, 8 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]-1,2-diphenylethanol;hydrochloride is sourced from PubChem (CID 54599890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).