2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine

C14H14BrFN2 — CID 79713121

IUPAC2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Br)c1)c1ccc(F)cn1
InChIInChI=1S/C14H14BrFN2/c1-17-14(13-6-5-12(16)9-18-13)8-10-3-2-4-11(15)7-10/h2-7,9,14,17H,8H2,1H3
InChIKeySVSCBGPAHNRZCL-UHFFFAOYSA-N
MW309.18 g/mol
LogP3.49
Rot. Bonds4

About 2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine

2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine (PubChem CID 79713121) has the molecular formula C14H14BrFN2 and a molecular weight of 309.18 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine
PubChem CID79713121
Molecular FormulaC14H14BrFN2
Molecular Weight309.18 g/mol
Exact Mass308.03
IUPAC Name2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Br)c1)c1ccc(F)cn1
InChIInChI=1S/C14H14BrFN2/c1-17-14(13-6-5-12(16)9-18-13)8-10-3-2-4-11(15)7-10/h2-7,9,14,17H,8H2,1H3
InChIKeySVSCBGPAHNRZCL-UHFFFAOYSA-N
XLogP3.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 79721739
3-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 112582851
2-(3-bromophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine
CID 107973641
2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 79723771
1-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-methylethanamine
CID 63527945
2-(2,3-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine
CID 79712624
2-(3,5-difluorophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 105406641
2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 55188147
2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
CID 62516727
1-(2-bromo-3,4-difluorophenyl)-2-(3-bromophenyl)-N-methylethanamine
CID 107539107
2-(3-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 55185855
1-(2-bromophenyl)-2-(3-bromophenyl)-N-methylethanamine
CID 55185666

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine?
The IUPAC name of 2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine (CID 79713121) is 2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine is CNC(Cc1cccc(Br)c1)c1ccc(F)cn1.
What is the InChIKey of 2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine?
The InChIKey is SVSCBGPAHNRZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2/c1-17-14(13-6-5-12(16)9-18-13)8-10-3-2-4-11(15)7-10/h2-7,9,14,17H,8H2,1H3.
What are the key properties of 2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine?
2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine has a molecular weight of 309.18 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 79713121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).