2-(3-chloro-4-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylethanamine

C14H12Br2ClFN2 — CID 103040452

IUPAC2-(3-chloro-4-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)c(Cl)c1)c1ncc(Br)cc1Br
InChIInChI=1S/C14H12Br2ClFN2/c1-19-13(14-10(16)6-9(15)7-20-14)5-8-2-3-12(18)11(17)4-8/h2-4,6-7,13,19H,5H2,1H3
InChIKeyJTNDBDYVPXXMLO-UHFFFAOYSA-N
MW422.52 g/mol
LogP4.90
Rot. Bonds4

About 2-(3-chloro-4-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylethanamine

2-(3-chloro-4-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylethanamine (PubChem CID 103040452) has the molecular formula C14H12Br2ClFN2 and a molecular weight of 422.52 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylethanamine
PubChem CID103040452
Molecular FormulaC14H12Br2ClFN2
Molecular Weight422.52 g/mol
Exact Mass419.90
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)c(Cl)c1)c1ncc(Br)cc1Br
InChIInChI=1S/C14H12Br2ClFN2/c1-19-13(14-10(16)6-9(15)7-20-14)5-8-2-3-12(18)11(17)4-8/h2-4,6-7,13,19H,5H2,1H3
InChIKeyJTNDBDYVPXXMLO-UHFFFAOYSA-N
XLogP4.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.52
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-chlorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethyl]hydrazine
CID 105268537
2-(4-chloro-3-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine
CID 107884966
1-(2-bromophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103039915
2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 103039760
1-(3-bromo-5-fluorophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103040190
1-(5-bromofuran-2-yl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103042976
1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103043118
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 103043497
2-(5-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine
CID 79780467
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 103043135
2-(3-bromo-4-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
CID 79783679
1-(3,5-dichloro-2-pyridinyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 79783537

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylethanamine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylethanamine (CID 103040452) is 2-(3-chloro-4-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylethanamine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylethanamine is CNC(Cc1ccc(F)c(Cl)c1)c1ncc(Br)cc1Br.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylethanamine?
The InChIKey is JTNDBDYVPXXMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2ClFN2/c1-19-13(14-10(16)6-9(15)7-20-14)5-8-2-3-12(18)11(17)4-8/h2-4,6-7,13,19H,5H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylethanamine?
2-(3-chloro-4-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylethanamine has a molecular weight of 422.52 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 103040452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).