2-(5-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine

C14H12BrCl2FN2 — CID 79780467

IUPAC2-(5-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1cc(Br)ccc1F)c1ncc(Cl)cc1Cl
InChIInChI=1S/C14H12BrCl2FN2/c1-19-13(14-11(17)6-10(16)7-20-14)5-8-4-9(15)2-3-12(8)18/h2-4,6-7,13,19H,5H2,1H3
InChIKeyKBGAWSQBDFUUBD-UHFFFAOYSA-N
MW378.07 g/mol
LogP4.79
Rot. Bonds4

About 2-(5-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine

2-(5-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine (PubChem CID 79780467) has the molecular formula C14H12BrCl2FN2 and a molecular weight of 378.07 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine
PubChem CID79780467
Molecular FormulaC14H12BrCl2FN2
Molecular Weight378.07 g/mol
Exact Mass375.95
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1cc(Br)ccc1F)c1ncc(Cl)cc1Cl
InChIInChI=1S/C14H12BrCl2FN2/c1-19-13(14-11(17)6-10(16)7-20-14)5-8-4-9(15)2-3-12(8)18/h2-4,6-7,13,19H,5H2,1H3
InChIKeyKBGAWSQBDFUUBD-UHFFFAOYSA-N
XLogP4.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.07
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-fluorophenyl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine
CID 103444324
2-(4-chloro-3-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine
CID 107884966
2-(5-bromo-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine
CID 106857259
1-(3-bromo-4-chlorophenyl)-2-(5-bromo-2-fluorophenyl)-N-methylethanamine
CID 115567161
1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 79780724
2-(4-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
CID 79781021
2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107947073
1-(3,5-dichloro-2-pyridinyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 79783537
(2S)-2-(3,5-dichloro-2-pyridinyl)-2-(methylamino)ethanol
CID 131218477
2-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)ethanamine
CID 115839656
1-(3,5-dichloro-2-pyridinyl)-2-(4-ethylphenyl)-N-methylethanamine
CID 79780634
2-(3-chloro-4-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylethanamine
CID 103040452

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine (CID 79780467) is 2-(5-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine is CNC(Cc1cc(Br)ccc1F)c1ncc(Cl)cc1Cl.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine?
The InChIKey is KBGAWSQBDFUUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2FN2/c1-19-13(14-11(17)6-10(16)7-20-14)5-8-4-9(15)2-3-12(8)18/h2-4,6-7,13,19H,5H2,1H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine?
2-(5-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine has a molecular weight of 378.07 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 79780467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).