2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol;hydrochloride

C17H20Cl3NO — CID 44537250

IUPAC2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol;hydrochloride
SMILESCCN(Cc1ccccc1)CC(O)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C17H19Cl2NO.ClH/c1-2-20(11-13-6-4-3-5-7-13)12-17(21)14-8-9-15(18)16(19)10-14;/h3-10,17,21H,2,11-12H2,1H3;1H
InChIKeyZUGJXMVVXUMUPI-UHFFFAOYSA-N
MW360.71 g/mol
LogP4.97
Rot. Bonds6

About 2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol;hydrochloride

2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol;hydrochloride (PubChem CID 44537250) has the molecular formula C17H20Cl3NO and a molecular weight of 360.71 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol;hydrochloride
PubChem CID44537250
Molecular FormulaC17H20Cl3NO
Molecular Weight360.71 g/mol
Exact Mass359.06
IUPAC Name2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol;hydrochloride
SMILESCCN(Cc1ccccc1)CC(O)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C17H19Cl2NO.ClH/c1-2-20(11-13-6-4-3-5-7-13)12-17(21)14-8-9-15(18)16(19)10-14;/h3-10,17,21H,2,11-12H2,1H3;1H
InChIKeyZUGJXMVVXUMUPI-UHFFFAOYSA-N
XLogP4.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.71
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol;hydrochloride?
The IUPAC name of 2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol;hydrochloride (CID 44537250) is 2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol;hydrochloride.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol;hydrochloride?
The canonical SMILES for 2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol;hydrochloride is CCN(Cc1ccccc1)CC(O)c1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of 2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol;hydrochloride?
The InChIKey is ZUGJXMVVXUMUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO.ClH/c1-2-20(11-13-6-4-3-5-7-13)12-17(21)14-8-9-15(18)16(19)10-14;/h3-10,17,21H,2,11-12H2,1H3;1H.
What are the key properties of 2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol;hydrochloride?
2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol;hydrochloride has a molecular weight of 360.71 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol;hydrochloride is sourced from PubChem (CID 44537250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).