N-[(4-bromo-2,6-difluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine

C14H12BrF3N2 — CID 105038311

IUPACN-[(4-bromo-2,6-difluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccncc1F)c1c(F)cc(Br)cc1F
InChIInChI=1S/C14H12BrF3N2/c1-2-20-14(9-3-4-19-7-12(9)18)13-10(16)5-8(15)6-11(13)17/h3-7,14,20H,2H2,1H3
InChIKeyZRHWAJWPGCQVCU-UHFFFAOYSA-N
MW345.16 g/mol
LogP3.96
Rot. Bonds4

About N-[(4-bromo-2,6-difluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine

N-[(4-bromo-2,6-difluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine (PubChem CID 105038311) has the molecular formula C14H12BrF3N2 and a molecular weight of 345.16 g/mol. Its IUPAC name is N-[(4-bromo-2,6-difluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-2,6-difluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
PubChem CID105038311
Molecular FormulaC14H12BrF3N2
Molecular Weight345.16 g/mol
Exact Mass344.01
IUPAC NameN-[(4-bromo-2,6-difluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccncc1F)c1c(F)cc(Br)cc1F
InChIInChI=1S/C14H12BrF3N2/c1-2-20-14(9-3-4-19-7-12(9)18)13-10(16)5-8(15)6-11(13)17/h3-7,14,20H,2H2,1H3
InChIKeyZRHWAJWPGCQVCU-UHFFFAOYSA-N
XLogP3.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.16
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-2-chlorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 105038084
N-[(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 82822811
N-[(3-fluoro-4-pyridinyl)-(2,4,6-trifluorophenyl)methyl]propan-1-amine
CID 105038327
N-[(3-fluoro-4-pyridinyl)-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 104738170
N-[(2-chloro-6-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 105038137
N-[(3-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 104738716
N-[(3-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]ethanamine
CID 104738234
N-[(4-bromo-2,6-difluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine
CID 106648036
N-[(4-chloro-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 107995206
N-[(3-fluoro-4-pyridinyl)-quinoxalin-6-ylmethyl]ethanamine
CID 104738240
N-[(3-fluoro-4-pyridinyl)-(1H-imidazol-2-yl)methyl]ethanamine
CID 104738570
N-[(3-fluoro-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine
CID 116544959

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2,6-difluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-2,6-difluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine (CID 105038311) is N-[(4-bromo-2,6-difluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-2,6-difluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-2,6-difluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine is CCNC(c1ccncc1F)c1c(F)cc(Br)cc1F.
What is the InChIKey of N-[(4-bromo-2,6-difluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine?
The InChIKey is ZRHWAJWPGCQVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF3N2/c1-2-20-14(9-3-4-19-7-12(9)18)13-10(16)5-8(15)6-11(13)17/h3-7,14,20H,2H2,1H3.
What are the key properties of N-[(4-bromo-2,6-difluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine?
N-[(4-bromo-2,6-difluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine has a molecular weight of 345.16 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2,6-difluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 105038311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).