3-chloro-2-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N-methylaniline

C15H14Cl2FN — CID 63540974

IUPAC3-chloro-2-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N-methylaniline
SMILESCN(Cc1ccccc1F)c1cccc(Cl)c1CCl
InChIInChI=1S/C15H14Cl2FN/c1-19(10-11-5-2-3-7-14(11)18)15-8-4-6-13(17)12(15)9-16/h2-8H,9-10H2,1H3
InChIKeyKLSWCICRQGBQID-UHFFFAOYSA-N
MW298.19 g/mol
LogP4.85
Rot. Bonds4

About 3-chloro-2-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N-methylaniline

3-chloro-2-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N-methylaniline (PubChem CID 63540974) has the molecular formula C15H14Cl2FN and a molecular weight of 298.19 g/mol. Its IUPAC name is 3-chloro-2-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N-methylaniline.

Molecular Properties

Compound Name3-chloro-2-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N-methylaniline
PubChem CID63540974
Molecular FormulaC15H14Cl2FN
Molecular Weight298.19 g/mol
Exact Mass297.05
IUPAC Name3-chloro-2-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N-methylaniline
SMILESCN(Cc1ccccc1F)c1cccc(Cl)c1CCl
InChIInChI=1S/C15H14Cl2FN/c1-19(10-11-5-2-3-7-14(11)18)15-8-4-6-13(17)12(15)9-16/h2-8H,9-10H2,1H3
InChIKeyKLSWCICRQGBQID-UHFFFAOYSA-N
XLogP4.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 54.85
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

3-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 104834154
2-chloro-6-[(2-fluoro-N-methylanilino)methyl]phenol
CID 112616199
2-(aminomethyl)-3-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline
CID 114879482
[2-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol
CID 61412891
3-chloro-2-[[(2-fluorophenyl)methyl-methylamino]methyl]aniline
CID 63747627
4-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 43577989
3-chloro-2-(chloromethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 43563593
1-[3-chloro-4-[(2-fluorophenyl)methyl-methylamino]phenyl]ethanone
CID 62909660
N-[(2-bromophenyl)methyl]-3-chloro-2-(ethylaminomethyl)-N-methylaniline
CID 63551727
2-amino-3-[(2-fluorophenyl)methyl-methylamino]benzonitrile
CID 104716346
2-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 62909903
2-(bromomethyl)-3-chloro-N-(2-fluorophenyl)-N-methylaniline
CID 107082621

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N-methylaniline?
The IUPAC name of 3-chloro-2-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N-methylaniline (CID 63540974) is 3-chloro-2-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N-methylaniline.
What is the SMILES notation for 3-chloro-2-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N-methylaniline?
The canonical SMILES for 3-chloro-2-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N-methylaniline is CN(Cc1ccccc1F)c1cccc(Cl)c1CCl.
What is the InChIKey of 3-chloro-2-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N-methylaniline?
The InChIKey is KLSWCICRQGBQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FN/c1-19(10-11-5-2-3-7-14(11)18)15-8-4-6-13(17)12(15)9-16/h2-8H,9-10H2,1H3.
What are the key properties of 3-chloro-2-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N-methylaniline?
3-chloro-2-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N-methylaniline has a molecular weight of 298.19 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N-methylaniline is sourced from PubChem (CID 63540974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).