2-chloro-4-(chloromethyl)-N-ethyl-N-(2-fluorophenyl)aniline

C15H14Cl2FN — CID 81151857

IUPAC2-chloro-4-(chloromethyl)-N-ethyl-N-(2-fluorophenyl)aniline
SMILESCCN(c1ccccc1F)c1ccc(CCl)cc1Cl
InChIInChI=1S/C15H14Cl2FN/c1-2-19(15-6-4-3-5-13(15)18)14-8-7-11(10-16)9-12(14)17/h3-9H,2,10H2,1H3
InChIKeyUHDHGLDPHOSEJQ-UHFFFAOYSA-N
MW298.19 g/mol
LogP5.38
Rot. Bonds4

About 2-chloro-4-(chloromethyl)-N-ethyl-N-(2-fluorophenyl)aniline

2-chloro-4-(chloromethyl)-N-ethyl-N-(2-fluorophenyl)aniline (PubChem CID 81151857) has the molecular formula C15H14Cl2FN and a molecular weight of 298.19 g/mol. Its IUPAC name is 2-chloro-4-(chloromethyl)-N-ethyl-N-(2-fluorophenyl)aniline.

Molecular Properties

Compound Name2-chloro-4-(chloromethyl)-N-ethyl-N-(2-fluorophenyl)aniline
PubChem CID81151857
Molecular FormulaC15H14Cl2FN
Molecular Weight298.19 g/mol
Exact Mass297.05
IUPAC Name2-chloro-4-(chloromethyl)-N-ethyl-N-(2-fluorophenyl)aniline
SMILESCCN(c1ccccc1F)c1ccc(CCl)cc1Cl
InChIInChI=1S/C15H14Cl2FN/c1-2-19(15-6-4-3-5-13(15)18)14-8-7-11(10-16)9-12(14)17/h3-9H,2,10H2,1H3
InChIKeyUHDHGLDPHOSEJQ-UHFFFAOYSA-N
XLogP5.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.19
LogP ≤ 55.38
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-4-(N-ethyl-2-fluoroanilino)benzonitrile
CID 63509825
4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-fluorophenyl)aniline
CID 78935061
4-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
CID 63540061
4-(2-aminoethyl)-2-chloro-N-ethyl-N-(2-methylphenyl)aniline
CID 81165834
3-chloro-1-N-ethyl-1-N-(2-fluorophenyl)benzene-1,2-diamine
CID 104834416
4-(2-aminoethyl)-2-chloro-N-ethyl-N-phenylaniline
CID 81166285
2-chloro-4-(chloromethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 81152373
4-(aminomethyl)-2-chloro-N-ethyl-N-phenylaniline
CID 78924406
2-chloro-4-(chloromethyl)-N-(2-methoxyphenyl)-N-methylaniline
CID 81152272
2-(aminomethyl)-N-ethyl-N-(2-fluorophenyl)aniline
CID 55125489
2-chloro-6-(N-ethyl-2-fluoroanilino)benzenecarboximidamide
CID 62497836
N-ethyl-2-fluoro-N-[4-(propylaminomethyl)phenyl]aniline
CID 63552706

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(chloromethyl)-N-ethyl-N-(2-fluorophenyl)aniline?
The IUPAC name of 2-chloro-4-(chloromethyl)-N-ethyl-N-(2-fluorophenyl)aniline (CID 81151857) is 2-chloro-4-(chloromethyl)-N-ethyl-N-(2-fluorophenyl)aniline.
What is the SMILES notation for 2-chloro-4-(chloromethyl)-N-ethyl-N-(2-fluorophenyl)aniline?
The canonical SMILES for 2-chloro-4-(chloromethyl)-N-ethyl-N-(2-fluorophenyl)aniline is CCN(c1ccccc1F)c1ccc(CCl)cc1Cl.
What is the InChIKey of 2-chloro-4-(chloromethyl)-N-ethyl-N-(2-fluorophenyl)aniline?
The InChIKey is UHDHGLDPHOSEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FN/c1-2-19(15-6-4-3-5-13(15)18)14-8-7-11(10-16)9-12(14)17/h3-9H,2,10H2,1H3.
What are the key properties of 2-chloro-4-(chloromethyl)-N-ethyl-N-(2-fluorophenyl)aniline?
2-chloro-4-(chloromethyl)-N-ethyl-N-(2-fluorophenyl)aniline has a molecular weight of 298.19 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(chloromethyl)-N-ethyl-N-(2-fluorophenyl)aniline is sourced from PubChem (CID 81151857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).