1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine

C14H13Br2ClN2 — CID 105036045

IUPAC1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cn1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H13Br2ClN2/c1-18-14(7-11-4-2-10(16)8-19-11)12-5-3-9(15)6-13(12)17/h2-6,8,14,18H,7H2,1H3
InChIKeyOYVIHVCFLHDPQF-UHFFFAOYSA-N
MW404.53 g/mol
LogP4.76
Rot. Bonds4

About 1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine

1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine (PubChem CID 105036045) has the molecular formula C14H13Br2ClN2 and a molecular weight of 404.53 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
PubChem CID105036045
Molecular FormulaC14H13Br2ClN2
Molecular Weight404.53 g/mol
Exact Mass401.91
IUPAC Name1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cn1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H13Br2ClN2/c1-18-14(7-11-4-2-10(16)8-19-11)12-5-3-9(15)6-13(12)17/h2-6,8,14,18H,7H2,1H3
InChIKeyOYVIHVCFLHDPQF-UHFFFAOYSA-N
XLogP4.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-bis(5-bromo-2-pyridinyl)-N-methylethanamine
CID 104804023
1-(2-bromo-3,4-difluorophenyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 107539014
N-[2-(5-bromo-2-pyridinyl)-1-(2-chloro-4-fluorophenyl)ethyl]propan-1-amine
CID 104801920
1-(2-chloro-4-fluorophenyl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 66447132
1-(4-bromo-2-chlorophenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 43805254
1-(4-bromo-2-chlorophenyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 115822078
2-(5-bromo-2-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 105036525
1-(4-bromo-2-chlorophenyl)-2-(2-bromophenyl)-N-methylethanamine
CID 115786767
1-(4-bromo-2-chlorophenyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 63527757
2-(5-bromo-2-pyridinyl)-1-(3,4-difluorophenyl)-N-methylethanamine
CID 104801261
2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 104802107
1-(4-bromo-2-chlorophenyl)-2-(4-chloro-3-fluorophenyl)-N-methylethanamine
CID 107892172

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine (CID 105036045) is 1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine is CNC(Cc1ccc(Br)cn1)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine?
The InChIKey is OYVIHVCFLHDPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2ClN2/c1-18-14(7-11-4-2-10(16)8-19-11)12-5-3-9(15)6-13(12)17/h2-6,8,14,18H,7H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine?
1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine has a molecular weight of 404.53 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 105036045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).