N-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]ethanamine

C16H19BrN2O — CID 43493541

IUPACN-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]ethanamine
SMILESCCNC(c1cccnc1)c1cc(Br)ccc1OCC
InChIInChI=1S/C16H19BrN2O/c1-3-19-16(12-6-5-9-18-11-12)14-10-13(17)7-8-15(14)20-4-2/h5-11,16,19H,3-4H2,1-2H3
InChIKeyFQPJRHHMTKFJMF-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.94
Rot. Bonds6

About N-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]ethanamine

N-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]ethanamine (PubChem CID 43493541) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is N-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]ethanamine
PubChem CID43493541
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC NameN-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]ethanamine
SMILESCCNC(c1cccnc1)c1cc(Br)ccc1OCC
InChIInChI=1S/C16H19BrN2O/c1-3-19-16(12-6-5-9-18-11-12)14-10-13(17)7-8-15(14)20-4-2/h5-11,16,19H,3-4H2,1-2H3
InChIKeyFQPJRHHMTKFJMF-UHFFFAOYSA-N
XLogP3.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-methylphenyl)-pyridin-3-ylmethyl]ethanamine
CID 115799160
N-[(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methyl]ethanamine
CID 43493554
N-[(5-bromo-2-ethoxyphenyl)-(3-iodophenyl)methyl]ethanamine
CID 43493535
N-[(3-bromophenyl)-pyridin-3-ylmethyl]ethanamine
CID 54861187
N-[(5-bromo-2-ethoxyphenyl)-(2-methylphenyl)methyl]ethanamine
CID 43493559
1-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine
CID 4295326
N-[(2,5-dibromophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine
CID 105026527
5-bromo-2-ethoxy-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 40673071
N-[(5-bromothiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 105098243
N-[(3-bromo-2-fluorophenyl)-pyridin-3-ylmethyl]ethanamine
CID 106645324
N-[(5-bromo-2-ethoxyphenyl)-(5-bromothiophen-2-yl)methyl]ethanamine
CID 43493518
N-[(2,5-dimethylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 43491878

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]ethanamine?
The IUPAC name of N-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]ethanamine (CID 43493541) is N-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]ethanamine?
The canonical SMILES for N-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]ethanamine is CCNC(c1cccnc1)c1cc(Br)ccc1OCC.
What is the InChIKey of N-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]ethanamine?
The InChIKey is FQPJRHHMTKFJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-3-19-16(12-6-5-9-18-11-12)14-10-13(17)7-8-15(14)20-4-2/h5-11,16,19H,3-4H2,1-2H3.
What are the key properties of N-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]ethanamine?
N-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]ethanamine has a molecular weight of 335.25 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]ethanamine is sourced from PubChem (CID 43493541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).