2-(bromomethyl)-6-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline

C14H14BrFN2 — CID 114067675

IUPAC2-(bromomethyl)-6-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
SMILESCN(Cc1cccnc1)c1c(F)cccc1CBr
InChIInChI=1S/C14H14BrFN2/c1-18(10-11-4-3-7-17-9-11)14-12(8-15)5-2-6-13(14)16/h2-7,9H,8,10H2,1H3
InChIKeyQYGCWTSMRLJCLM-UHFFFAOYSA-N
MW309.18 g/mol
LogP3.75
Rot. Bonds4

About 2-(bromomethyl)-6-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline

2-(bromomethyl)-6-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline (PubChem CID 114067675) has the molecular formula C14H14BrFN2 and a molecular weight of 309.18 g/mol. Its IUPAC name is 2-(bromomethyl)-6-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-(bromomethyl)-6-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
PubChem CID114067675
Molecular FormulaC14H14BrFN2
Molecular Weight309.18 g/mol
Exact Mass308.03
IUPAC Name2-(bromomethyl)-6-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
SMILESCN(Cc1cccnc1)c1c(F)cccc1CBr
InChIInChI=1S/C14H14BrFN2/c1-18(10-11-4-3-7-17-9-11)14-12(8-15)5-2-6-13(14)16/h2-7,9H,8,10H2,1H3
InChIKeyQYGCWTSMRLJCLM-UHFFFAOYSA-N
XLogP3.75
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[3-fluoro-2-[methyl(pyridin-3-ylmethyl)amino]phenyl]methanol
CID 114067410
2-(bromomethyl)-6-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 114067700
1-[2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol
CID 43563565
2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]benzonitrile
CID 78911103
2-(bromomethyl)-N-methyl-4-nitro-N-(pyridin-3-ylmethyl)aniline
CID 107080346
[2-[methyl(pyridin-3-ylmethyl)amino]-3-pyridinyl]methanol
CID 61255832
1-(2-fluorophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-one
CID 62052978
N-methyl-N-(pyridin-3-ylmethyl)thiophen-2-amine
CID 154729661
4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 78934917
N-methyl-2-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)aniline
CID 43563622
3-(2-fluorophenyl)-2-N,2-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 114831111
2-(chloromethyl)-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 43563584

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline?
The IUPAC name of 2-(bromomethyl)-6-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline (CID 114067675) is 2-(bromomethyl)-6-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 2-(bromomethyl)-6-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for 2-(bromomethyl)-6-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline is CN(Cc1cccnc1)c1c(F)cccc1CBr.
What is the InChIKey of 2-(bromomethyl)-6-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline?
The InChIKey is QYGCWTSMRLJCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2/c1-18(10-11-4-3-7-17-9-11)14-12(8-15)5-2-6-13(14)16/h2-7,9H,8,10H2,1H3.
What are the key properties of 2-(bromomethyl)-6-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline?
2-(bromomethyl)-6-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline has a molecular weight of 309.18 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 114067675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).