1-(4-bromo-2-methoxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine

C16H19BrN2O — CID 115369494

IUPAC1-(4-bromo-2-methoxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine
SMILESCCNC(Cc1ccncc1)c1ccc(Br)cc1OC
InChIInChI=1S/C16H19BrN2O/c1-3-19-15(10-12-6-8-18-9-7-12)14-5-4-13(17)11-16(14)20-2/h4-9,11,15,19H,3,10H2,1-2H3
InChIKeyNTARYUIFYXUHEF-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.75
Rot. Bonds6

About 1-(4-bromo-2-methoxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine

1-(4-bromo-2-methoxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine (PubChem CID 115369494) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine
PubChem CID115369494
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name1-(4-bromo-2-methoxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine
SMILESCCNC(Cc1ccncc1)c1ccc(Br)cc1OC
InChIInChI=1S/C16H19BrN2O/c1-3-19-15(10-12-6-8-18-9-7-12)14-5-4-13(17)11-16(14)20-2/h4-9,11,15,19H,3,10H2,1-2H3
InChIKeyNTARYUIFYXUHEF-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106792439
1-(4-bromo-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 115841674
N-[1-(2,4-dibromophenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 107946176
N-[1-(2-methoxyphenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 62551587
1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine
CID 105036711
2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 43492237
1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]-N-ethylethanamine
CID 102947675
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine
CID 105066036
1-(4-bromo-2-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 115369427
1-(4-bromo-2-methoxyphenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 115369429
1-(4-bromo-2-methoxyphenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105024137
N-[(4-bromo-2-methoxyphenyl)-pyrazin-2-ylmethyl]ethanamine
CID 115860499

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine (CID 115369494) is 1-(4-bromo-2-methoxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine is CCNC(Cc1ccncc1)c1ccc(Br)cc1OC.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine?
The InChIKey is NTARYUIFYXUHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-3-19-15(10-12-6-8-18-9-7-12)14-5-4-13(17)11-16(14)20-2/h4-9,11,15,19H,3,10H2,1-2H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine?
1-(4-bromo-2-methoxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine has a molecular weight of 335.25 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine is sourced from PubChem (CID 115369494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).