N-[2-(3-fluorophenyl)ethyl]-N-(2-pyridin-3-ylethyl)propan-1-amine;hydrobromide

C18H24BrFN2 — CID 45263780

IUPACN-[2-(3-fluorophenyl)ethyl]-N-(2-pyridin-3-ylethyl)propan-1-amine;hydrobromide
SMILESBr.CCCN(CCc1cccnc1)CCc1cccc(F)c1
InChIInChI=1S/C18H23FN2.BrH/c1-2-11-21(13-9-17-6-4-10-20-15-17)12-8-16-5-3-7-18(19)14-16;/h3-7,10,14-15H,2,8-9,11-13H2,1H3;1H
InChIKeyXFSFCUGRDMDQCO-UHFFFAOYSA-N
MW367.31 g/mol
LogP4.30
Rot. Bonds8

About N-[2-(3-fluorophenyl)ethyl]-N-(2-pyridin-3-ylethyl)propan-1-amine;hydrobromide

N-[2-(3-fluorophenyl)ethyl]-N-(2-pyridin-3-ylethyl)propan-1-amine;hydrobromide (PubChem CID 45263780) has the molecular formula C18H24BrFN2 and a molecular weight of 367.31 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-N-(2-pyridin-3-ylethyl)propan-1-amine;hydrobromide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-N-(2-pyridin-3-ylethyl)propan-1-amine;hydrobromide
PubChem CID45263780
Molecular FormulaC18H24BrFN2
Molecular Weight367.31 g/mol
Exact Mass366.11
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-N-(2-pyridin-3-ylethyl)propan-1-amine;hydrobromide
SMILESBr.CCCN(CCc1cccnc1)CCc1cccc(F)c1
InChIInChI=1S/C18H23FN2.BrH/c1-2-11-21(13-9-17-6-4-10-20-15-17)12-8-16-5-3-7-18(19)14-16;/h3-7,10,14-15H,2,8-9,11-13H2,1H3;1H
InChIKeyXFSFCUGRDMDQCO-UHFFFAOYSA-N
XLogP4.30
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.31
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-N-(2-pyridin-3-ylethyl)propan-1-amine;hydrobromide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-N-(2-pyridin-3-ylethyl)propan-1-amine;hydrobromide (CID 45263780) is N-[2-(3-fluorophenyl)ethyl]-N-(2-pyridin-3-ylethyl)propan-1-amine;hydrobromide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-N-(2-pyridin-3-ylethyl)propan-1-amine;hydrobromide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-N-(2-pyridin-3-ylethyl)propan-1-amine;hydrobromide is Br.CCCN(CCc1cccnc1)CCc1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-N-(2-pyridin-3-ylethyl)propan-1-amine;hydrobromide?
The InChIKey is XFSFCUGRDMDQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2.BrH/c1-2-11-21(13-9-17-6-4-10-20-15-17)12-8-16-5-3-7-18(19)14-16;/h3-7,10,14-15H,2,8-9,11-13H2,1H3;1H.
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-N-(2-pyridin-3-ylethyl)propan-1-amine;hydrobromide?
N-[2-(3-fluorophenyl)ethyl]-N-(2-pyridin-3-ylethyl)propan-1-amine;hydrobromide has a molecular weight of 367.31 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-N-(2-pyridin-3-ylethyl)propan-1-amine;hydrobromide is sourced from PubChem (CID 45263780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).