2-(5-bromo-2-pyridinyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine

C15H18BrN3O — CID 105066036

IUPAC2-(5-bromo-2-pyridinyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine
SMILESCCNC(Cc1ccc(Br)cn1)c1ccncc1OC
InChIInChI=1S/C15H18BrN3O/c1-3-18-14(8-12-5-4-11(16)9-19-12)13-6-7-17-10-15(13)20-2/h4-7,9-10,14,18H,3,8H2,1-2H3
InChIKeyJTPSYMXXXNIINM-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.14
Rot. Bonds6

About 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine

2-(5-bromo-2-pyridinyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine (PubChem CID 105066036) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine
PubChem CID105066036
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name2-(5-bromo-2-pyridinyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine
SMILESCCNC(Cc1ccc(Br)cn1)c1ccncc1OC
InChIInChI=1S/C15H18BrN3O/c1-3-18-14(8-12-5-4-11(16)9-19-12)13-6-7-17-10-15(13)20-2/h4-7,9-10,14,18H,3,8H2,1-2H3
InChIKeyJTPSYMXXXNIINM-UHFFFAOYSA-N
XLogP3.14
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine with MolForge

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Related Compounds

2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine
CID 104803663
1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine
CID 105180870
1-(4-bromo-2-methoxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine
CID 115369494
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755829
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine
CID 105065910
2-(5-bromo-2-pyridinyl)-1-(2,5-dimethylfuran-3-yl)-N-ethylethanamine
CID 105036305
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine
CID 103052808
2-(5-bromo-2-pyridinyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 105036461
[1-(3-methoxy-4-pyridinyl)-2-pyridin-2-ylethyl]hydrazine
CID 105315394
N-ethyl-1-(3-methoxy-4-pyridinyl)-2-(oxan-4-yl)ethanamine
CID 105065449
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(3-fluoro-2-pyridinyl)ethanamine
CID 104803642
N-ethyl-5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)pentan-1-amine
CID 105065948

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine (CID 105066036) is 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine is CCNC(Cc1ccc(Br)cn1)c1ccncc1OC.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine?
The InChIKey is JTPSYMXXXNIINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-3-18-14(8-12-5-4-11(16)9-19-12)13-6-7-17-10-15(13)20-2/h4-7,9-10,14,18H,3,8H2,1-2H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine?
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine has a molecular weight of 336.23 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine is sourced from PubChem (CID 105066036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).