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

C15H14ClF2N — CID 63540837

IUPAC2-(chloromethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline
SMILESCN(Cc1ccc(F)cc1)c1ccc(F)cc1CCl
InChIInChI=1S/C15H14ClF2N/c1-19(10-11-2-4-13(17)5-3-11)15-7-6-14(18)8-12(15)9-16/h2-8H,9-10H2,1H3
InChIKeyBGCWCYXRHUSYBG-UHFFFAOYSA-N
MW281.73 g/mol
LogP4.34
Rot. Bonds4

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

2-(chloromethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline (PubChem CID 63540837) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is 2-(chloromethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline.

Molecular Properties

Compound Name2-(chloromethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline
PubChem CID63540837
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC Name2-(chloromethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline
SMILESCN(Cc1ccc(F)cc1)c1ccc(F)cc1CCl
InChIInChI=1S/C15H14ClF2N/c1-19(10-11-2-4-13(17)5-3-11)15-7-6-14(18)8-12(15)9-16/h2-8H,9-10H2,1H3
InChIKeyBGCWCYXRHUSYBG-UHFFFAOYSA-N
XLogP4.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 54.34
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-(chloromethyl)-4-fluoro-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 63540677
2-(chloromethyl)-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 43563584
2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-fluoro-N-methylaniline
CID 61414753
2-(chloromethyl)-4-fluoro-N-methyl-N-propylaniline
CID 43313548
2-(bromomethyl)-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylaniline
CID 107081022
1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,2-diamine
CID 61414834
N-benzyl-4-fluoro-N-methyl-2-(methylaminomethyl)aniline
CID 43313736
2-(chloromethyl)-N-[(4-chlorophenyl)methyl]-N-methylaniline
CID 63540989
(1S)-1-[5-fluoro-2-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 78939980
2-(1-aminoethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 61412975
2-(2-aminopropyl)-4-chloro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 114861654
2-(chloromethyl)-N-[(3-fluorophenyl)methyl]-N-methyl-4-nitroaniline
CID 28964494

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline?
The IUPAC name of 2-(chloromethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline (CID 63540837) is 2-(chloromethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline.
What is the SMILES notation for 2-(chloromethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline?
The canonical SMILES for 2-(chloromethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline is CN(Cc1ccc(F)cc1)c1ccc(F)cc1CCl.
What is the InChIKey of 2-(chloromethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline?
The InChIKey is BGCWCYXRHUSYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c1-19(10-11-2-4-13(17)5-3-11)15-7-6-14(18)8-12(15)9-16/h2-8H,9-10H2,1H3.
What are the key properties of 2-(chloromethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline?
2-(chloromethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline has a molecular weight of 281.73 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline is sourced from PubChem (CID 63540837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).