2-[2-naphthalen-2-ylethyl(propyl)amino]-1-pyridin-3-ylethanol;hydrobromide

C22H27BrN2O — CID 45263787

IUPAC2-[2-naphthalen-2-ylethyl(propyl)amino]-1-pyridin-3-ylethanol;hydrobromide
SMILESBr.CCCN(CCc1ccc2ccccc2c1)CC(O)c1cccnc1
InChIInChI=1S/C22H26N2O.BrH/c1-2-13-24(17-22(25)21-8-5-12-23-16-21)14-11-18-9-10-19-6-3-4-7-20(19)15-18;/h3-10,12,15-16,22,25H,2,11,13-14,17H2,1H3;1H
InChIKeyGGBRNFKFNWWUOK-UHFFFAOYSA-N
MW415.38 g/mol
LogP4.80
Rot. Bonds8

About 2-[2-naphthalen-2-ylethyl(propyl)amino]-1-pyridin-3-ylethanol;hydrobromide

2-[2-naphthalen-2-ylethyl(propyl)amino]-1-pyridin-3-ylethanol;hydrobromide (PubChem CID 45263787) has the molecular formula C22H27BrN2O and a molecular weight of 415.38 g/mol. Its IUPAC name is 2-[2-naphthalen-2-ylethyl(propyl)amino]-1-pyridin-3-ylethanol;hydrobromide.

Molecular Properties

Compound Name2-[2-naphthalen-2-ylethyl(propyl)amino]-1-pyridin-3-ylethanol;hydrobromide
PubChem CID45263787
Molecular FormulaC22H27BrN2O
Molecular Weight415.38 g/mol
Exact Mass414.13
IUPAC Name2-[2-naphthalen-2-ylethyl(propyl)amino]-1-pyridin-3-ylethanol;hydrobromide
SMILESBr.CCCN(CCc1ccc2ccccc2c1)CC(O)c1cccnc1
InChIInChI=1S/C22H26N2O.BrH/c1-2-13-24(17-22(25)21-8-5-12-23-16-21)14-11-18-9-10-19-6-3-4-7-20(19)15-18;/h3-10,12,15-16,22,25H,2,11,13-14,17H2,1H3;1H
InChIKeyGGBRNFKFNWWUOK-UHFFFAOYSA-N
XLogP4.80
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.38
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-naphthalen-2-ylethyl(propyl)amino]-1-pyridin-3-ylethanol;hydrobromide?
The IUPAC name of 2-[2-naphthalen-2-ylethyl(propyl)amino]-1-pyridin-3-ylethanol;hydrobromide (CID 45263787) is 2-[2-naphthalen-2-ylethyl(propyl)amino]-1-pyridin-3-ylethanol;hydrobromide.
What is the SMILES notation for 2-[2-naphthalen-2-ylethyl(propyl)amino]-1-pyridin-3-ylethanol;hydrobromide?
The canonical SMILES for 2-[2-naphthalen-2-ylethyl(propyl)amino]-1-pyridin-3-ylethanol;hydrobromide is Br.CCCN(CCc1ccc2ccccc2c1)CC(O)c1cccnc1.
What is the InChIKey of 2-[2-naphthalen-2-ylethyl(propyl)amino]-1-pyridin-3-ylethanol;hydrobromide?
The InChIKey is GGBRNFKFNWWUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O.BrH/c1-2-13-24(17-22(25)21-8-5-12-23-16-21)14-11-18-9-10-19-6-3-4-7-20(19)15-18;/h3-10,12,15-16,22,25H,2,11,13-14,17H2,1H3;1H.
What are the key properties of 2-[2-naphthalen-2-ylethyl(propyl)amino]-1-pyridin-3-ylethanol;hydrobromide?
2-[2-naphthalen-2-ylethyl(propyl)amino]-1-pyridin-3-ylethanol;hydrobromide has a molecular weight of 415.38 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-naphthalen-2-ylethyl(propyl)amino]-1-pyridin-3-ylethanol;hydrobromide is sourced from PubChem (CID 45263787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).