4-(bromomethyl)-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)aniline

C14H14BrFN2 — CID 107080376

IUPAC4-(bromomethyl)-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)aniline
SMILESCN(Cc1ccccn1)c1ccc(CBr)cc1F
InChIInChI=1S/C14H14BrFN2/c1-18(10-12-4-2-3-7-17-12)14-6-5-11(9-15)8-13(14)16/h2-8H,9-10H2,1H3
InChIKeyMVKKCANSBUMJIV-UHFFFAOYSA-N
MW309.18 g/mol
LogP3.75
Rot. Bonds4

About 4-(bromomethyl)-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)aniline

4-(bromomethyl)-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)aniline (PubChem CID 107080376) has the molecular formula C14H14BrFN2 and a molecular weight of 309.18 g/mol. Its IUPAC name is 4-(bromomethyl)-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-(bromomethyl)-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)aniline
PubChem CID107080376
Molecular FormulaC14H14BrFN2
Molecular Weight309.18 g/mol
Exact Mass308.03
IUPAC Name4-(bromomethyl)-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)aniline
SMILESCN(Cc1ccccn1)c1ccc(CBr)cc1F
InChIInChI=1S/C14H14BrFN2/c1-18(10-12-4-2-3-7-17-12)14-6-5-11(9-15)8-13(14)16/h2-8H,9-10H2,1H3
InChIKeyMVKKCANSBUMJIV-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

2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline
CID 43565230
3-fluoro-4-[methyl(pyridin-2-ylmethyl)amino]benzaldehyde
CID 43565130
4-bromo-2-(bromomethyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 114061506
[3,5-difluoro-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]methanol
CID 63075487
1-(3-bromo-4-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine
CID 54971683
4-(bromomethyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)aniline
CID 107079644
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
4-(2-aminopropyl)-2-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 63786109
2-fluoro-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 55159076
5-fluoro-2-[methyl(pyridin-2-ylmethyl)amino]benzonitrile
CID 55233709
4-(bromomethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline
CID 107084678
2-[methyl(pyridin-2-ylmethyl)amino]phenol
CID 100991764

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)aniline?
The IUPAC name of 4-(bromomethyl)-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)aniline (CID 107080376) is 4-(bromomethyl)-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)aniline.
What is the SMILES notation for 4-(bromomethyl)-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)aniline?
The canonical SMILES for 4-(bromomethyl)-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)aniline is CN(Cc1ccccn1)c1ccc(CBr)cc1F.
What is the InChIKey of 4-(bromomethyl)-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)aniline?
The InChIKey is MVKKCANSBUMJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2/c1-18(10-12-4-2-3-7-17-12)14-6-5-11(9-15)8-13(14)16/h2-8H,9-10H2,1H3.
What are the key properties of 4-(bromomethyl)-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)aniline?
4-(bromomethyl)-2-fluoro-N-methyl-N-(pyridin-2-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 4-(bromomethyl)-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)aniline is sourced from PubChem (CID 107080376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).