2-[2-(4-chlorophenyl)ethyl-propylamino]-1-pyridin-4-ylethanol;hydrobromide

C18H24BrClN2O — CID 45263753

IUPAC2-[2-(4-chlorophenyl)ethyl-propylamino]-1-pyridin-4-ylethanol;hydrobromide
SMILESBr.CCCN(CCc1ccc(Cl)cc1)CC(O)c1ccncc1
InChIInChI=1S/C18H23ClN2O.BrH/c1-2-12-21(13-9-15-3-5-17(19)6-4-15)14-18(22)16-7-10-20-11-8-16;/h3-8,10-11,18,22H,2,9,12-14H2,1H3;1H
InChIKeyXUABSPXCFRNGHJ-UHFFFAOYSA-N
MW399.76 g/mol
LogP4.30
Rot. Bonds8

About 2-[2-(4-chlorophenyl)ethyl-propylamino]-1-pyridin-4-ylethanol;hydrobromide

2-[2-(4-chlorophenyl)ethyl-propylamino]-1-pyridin-4-ylethanol;hydrobromide (PubChem CID 45263753) has the molecular formula C18H24BrClN2O and a molecular weight of 399.76 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethyl-propylamino]-1-pyridin-4-ylethanol;hydrobromide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethyl-propylamino]-1-pyridin-4-ylethanol;hydrobromide
PubChem CID45263753
Molecular FormulaC18H24BrClN2O
Molecular Weight399.76 g/mol
Exact Mass398.08
IUPAC Name2-[2-(4-chlorophenyl)ethyl-propylamino]-1-pyridin-4-ylethanol;hydrobromide
SMILESBr.CCCN(CCc1ccc(Cl)cc1)CC(O)c1ccncc1
InChIInChI=1S/C18H23ClN2O.BrH/c1-2-12-21(13-9-15-3-5-17(19)6-4-15)14-18(22)16-7-10-20-11-8-16;/h3-8,10-11,18,22H,2,9,12-14H2,1H3;1H
InChIKeyXUABSPXCFRNGHJ-UHFFFAOYSA-N
XLogP4.30
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.76
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethyl-propylamino]-1-pyridin-4-ylethanol;hydrobromide?
The IUPAC name of 2-[2-(4-chlorophenyl)ethyl-propylamino]-1-pyridin-4-ylethanol;hydrobromide (CID 45263753) is 2-[2-(4-chlorophenyl)ethyl-propylamino]-1-pyridin-4-ylethanol;hydrobromide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethyl-propylamino]-1-pyridin-4-ylethanol;hydrobromide?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethyl-propylamino]-1-pyridin-4-ylethanol;hydrobromide is Br.CCCN(CCc1ccc(Cl)cc1)CC(O)c1ccncc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethyl-propylamino]-1-pyridin-4-ylethanol;hydrobromide?
The InChIKey is XUABSPXCFRNGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O.BrH/c1-2-12-21(13-9-15-3-5-17(19)6-4-15)14-18(22)16-7-10-20-11-8-16;/h3-8,10-11,18,22H,2,9,12-14H2,1H3;1H.
What are the key properties of 2-[2-(4-chlorophenyl)ethyl-propylamino]-1-pyridin-4-ylethanol;hydrobromide?
2-[2-(4-chlorophenyl)ethyl-propylamino]-1-pyridin-4-ylethanol;hydrobromide has a molecular weight of 399.76 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethyl-propylamino]-1-pyridin-4-ylethanol;hydrobromide is sourced from PubChem (CID 45263753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).