1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine

C16H18Br2N2O — CID 105180870

IUPAC1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Br)cn1)c1cc(OC)ccc1Br
InChIInChI=1S/C16H18Br2N2O/c1-3-19-16(8-12-5-4-11(17)10-20-12)14-9-13(21-2)6-7-15(14)18/h4-7,9-10,16,19H,3,8H2,1-2H3
InChIKeyGQHVUGUVXUGCAZ-UHFFFAOYSA-N
MW414.14 g/mol
LogP4.51
Rot. Bonds6

About 1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine

1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine (PubChem CID 105180870) has the molecular formula C16H18Br2N2O and a molecular weight of 414.14 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine
PubChem CID105180870
Molecular FormulaC16H18Br2N2O
Molecular Weight414.14 g/mol
Exact Mass411.98
IUPAC Name1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Br)cn1)c1cc(OC)ccc1Br
InChIInChI=1S/C16H18Br2N2O/c1-3-19-16(8-12-5-4-11(17)10-20-12)14-9-13(21-2)6-7-15(14)18/h4-7,9-10,16,19H,3,8H2,1-2H3
InChIKeyGQHVUGUVXUGCAZ-UHFFFAOYSA-N
XLogP4.51
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.14
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 66448295
1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 105180937
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine
CID 105066036
1-(2-bromo-5-methylphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 81111195
2-(5-bromo-2-pyridinyl)-1-(2,5-dimethylfuran-3-yl)-N-ethylethanamine
CID 105036305
1-(4-bromo-3-fluorophenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine
CID 105036487
N-[2-(5-bromo-2-pyridinyl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 104800981
1-(2-bromo-5-methoxyphenyl)-2-ethoxy-N-ethylethanamine
CID 105164999
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine
CID 104803663
1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 105177265
1-(2-bromo-5-methoxyphenyl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 63528581
2-(5-bromo-2-pyridinyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 105036461

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine (CID 105180870) is 1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine is CCNC(Cc1ccc(Br)cn1)c1cc(OC)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine?
The InChIKey is GQHVUGUVXUGCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Br2N2O/c1-3-19-16(8-12-5-4-11(17)10-20-12)14-9-13(21-2)6-7-15(14)18/h4-7,9-10,16,19H,3,8H2,1-2H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine?
1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine has a molecular weight of 414.14 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine is sourced from PubChem (CID 105180870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).