2-(bromomethyl)-6-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline

C15H14BrF2N — CID 114067700

IUPAC2-(bromomethyl)-6-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline
SMILESCN(Cc1ccc(F)cc1)c1c(F)cccc1CBr
InChIInChI=1S/C15H14BrF2N/c1-19(10-11-5-7-13(17)8-6-11)15-12(9-16)3-2-4-14(15)18/h2-8H,9-10H2,1H3
InChIKeyDFCHKINGJFFVJE-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.50
Rot. Bonds4

About 2-(bromomethyl)-6-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline

2-(bromomethyl)-6-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline (PubChem CID 114067700) has the molecular formula C15H14BrF2N and a molecular weight of 326.18 g/mol. Its IUPAC name is 2-(bromomethyl)-6-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline.

Molecular Properties

Compound Name2-(bromomethyl)-6-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline
PubChem CID114067700
Molecular FormulaC15H14BrF2N
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name2-(bromomethyl)-6-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline
SMILESCN(Cc1ccc(F)cc1)c1c(F)cccc1CBr
InChIInChI=1S/C15H14BrF2N/c1-19(10-11-5-7-13(17)8-6-11)15-12(9-16)3-2-4-14(15)18/h2-8H,9-10H2,1H3
InChIKeyDFCHKINGJFFVJE-UHFFFAOYSA-N
XLogP4.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-6-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 114067675
2-(bromomethyl)-N-tert-butyl-6-fluoro-N-methylaniline
CID 130756582
N-(bromomethyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 115261999
ethane;1-(4-fluorophenyl)-N,N-dimethylmethanamine
CID 163403663
2-(bromomethyl)-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylaniline
CID 107081022
2-fluoro-6-[(4-fluorophenyl)methyl-methylamino]benzonitrile
CID 78911019
3-fluoro-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 171702410
[3-fluoro-2-[methyl(pyridin-3-ylmethyl)amino]phenyl]methanol
CID 114067410
2-(bromomethyl)-N-ethyl-6-fluoro-N-phenylaniline
CID 114067666
N-benzyl-2-(bromomethyl)-N-methylaniline
CID 107079172
2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 78771203
3-amino-2-[(4-fluorophenyl)methyl-methylamino]benzoic acid
CID 115934268

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline?
The IUPAC name of 2-(bromomethyl)-6-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline (CID 114067700) is 2-(bromomethyl)-6-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline.
What is the SMILES notation for 2-(bromomethyl)-6-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline?
The canonical SMILES for 2-(bromomethyl)-6-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline is CN(Cc1ccc(F)cc1)c1c(F)cccc1CBr.
What is the InChIKey of 2-(bromomethyl)-6-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline?
The InChIKey is DFCHKINGJFFVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N/c1-19(10-11-5-7-13(17)8-6-11)15-12(9-16)3-2-4-14(15)18/h2-8H,9-10H2,1H3.
What are the key properties of 2-(bromomethyl)-6-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline?
2-(bromomethyl)-6-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline has a molecular weight of 326.18 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline is sourced from PubChem (CID 114067700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).