2-[2-(3,4-dichlorophenyl)ethyl-propylamino]-1-pyridin-3-ylethanol;hydrobromide

C18H23BrCl2N2O — CID 11743621

IUPAC2-[2-(3,4-dichlorophenyl)ethyl-propylamino]-1-pyridin-3-ylethanol;hydrobromide
SMILESBr.CCCN(CCc1ccc(Cl)c(Cl)c1)CC(O)c1cccnc1
InChIInChI=1S/C18H22Cl2N2O.BrH/c1-2-9-22(13-18(23)15-4-3-8-21-12-15)10-7-14-5-6-16(19)17(20)11-14;/h3-6,8,11-12,18,23H,2,7,9-10,13H2,1H3;1H
InChIKeyANXHFAIJCYGDMI-UHFFFAOYSA-N
MW434.21 g/mol
LogP4.95
Rot. Bonds8

About 2-[2-(3,4-dichlorophenyl)ethyl-propylamino]-1-pyridin-3-ylethanol;hydrobromide

2-[2-(3,4-dichlorophenyl)ethyl-propylamino]-1-pyridin-3-ylethanol;hydrobromide (PubChem CID 11743621) has the molecular formula C18H23BrCl2N2O and a molecular weight of 434.21 g/mol. Its IUPAC name is 2-[2-(3,4-dichlorophenyl)ethyl-propylamino]-1-pyridin-3-ylethanol;hydrobromide.

Molecular Properties

Compound Name2-[2-(3,4-dichlorophenyl)ethyl-propylamino]-1-pyridin-3-ylethanol;hydrobromide
PubChem CID11743621
Molecular FormulaC18H23BrCl2N2O
Molecular Weight434.21 g/mol
Exact Mass432.04
IUPAC Name2-[2-(3,4-dichlorophenyl)ethyl-propylamino]-1-pyridin-3-ylethanol;hydrobromide
SMILESBr.CCCN(CCc1ccc(Cl)c(Cl)c1)CC(O)c1cccnc1
InChIInChI=1S/C18H22Cl2N2O.BrH/c1-2-9-22(13-18(23)15-4-3-8-21-12-15)10-7-14-5-6-16(19)17(20)11-14;/h3-6,8,11-12,18,23H,2,7,9-10,13H2,1H3;1H
InChIKeyANXHFAIJCYGDMI-UHFFFAOYSA-N
XLogP4.95
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.21
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(3,4-dichlorophenyl)ethyl-propylamino]-1-pyridin-3-ylethanol;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dichlorophenyl)ethyl-propylamino]-1-pyridin-3-ylethanol;hydrobromide?
The IUPAC name of 2-[2-(3,4-dichlorophenyl)ethyl-propylamino]-1-pyridin-3-ylethanol;hydrobromide (CID 11743621) is 2-[2-(3,4-dichlorophenyl)ethyl-propylamino]-1-pyridin-3-ylethanol;hydrobromide.
What is the SMILES notation for 2-[2-(3,4-dichlorophenyl)ethyl-propylamino]-1-pyridin-3-ylethanol;hydrobromide?
The canonical SMILES for 2-[2-(3,4-dichlorophenyl)ethyl-propylamino]-1-pyridin-3-ylethanol;hydrobromide is Br.CCCN(CCc1ccc(Cl)c(Cl)c1)CC(O)c1cccnc1.
What is the InChIKey of 2-[2-(3,4-dichlorophenyl)ethyl-propylamino]-1-pyridin-3-ylethanol;hydrobromide?
The InChIKey is ANXHFAIJCYGDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N2O.BrH/c1-2-9-22(13-18(23)15-4-3-8-21-12-15)10-7-14-5-6-16(19)17(20)11-14;/h3-6,8,11-12,18,23H,2,7,9-10,13H2,1H3;1H.
What are the key properties of 2-[2-(3,4-dichlorophenyl)ethyl-propylamino]-1-pyridin-3-ylethanol;hydrobromide?
2-[2-(3,4-dichlorophenyl)ethyl-propylamino]-1-pyridin-3-ylethanol;hydrobromide has a molecular weight of 434.21 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dichlorophenyl)ethyl-propylamino]-1-pyridin-3-ylethanol;hydrobromide is sourced from PubChem (CID 11743621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).