3-chloro-N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]aniline

C15H13ClF3N — CID 134615440

IUPAC3-chloro-N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]aniline
SMILESCN(C)c1cccc(Cl)c1-c1ccccc1C(F)(F)F
InChIInChI=1S/C15H13ClF3N/c1-20(2)13-9-5-8-12(16)14(13)10-6-3-4-7-11(10)15(17,18)19/h3-9H,1-2H3
InChIKeyZJIAYDMRDKHDEJ-UHFFFAOYSA-N
MW299.72 g/mol
LogP5.09
Rot. Bonds2

About 3-chloro-N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]aniline

3-chloro-N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]aniline (PubChem CID 134615440) has the molecular formula C15H13ClF3N and a molecular weight of 299.72 g/mol. Its IUPAC name is 3-chloro-N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name3-chloro-N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]aniline
PubChem CID134615440
Molecular FormulaC15H13ClF3N
Molecular Weight299.72 g/mol
Exact Mass299.07
IUPAC Name3-chloro-N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]aniline
SMILESCN(C)c1cccc(Cl)c1-c1ccccc1C(F)(F)F
InChIInChI=1S/C15H13ClF3N/c1-20(2)13-9-5-8-12(16)14(13)10-6-3-4-7-11(10)15(17,18)19/h3-9H,1-2H3
InChIKeyZJIAYDMRDKHDEJ-UHFFFAOYSA-N
XLogP5.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.72
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dimethyl-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]aniline
CID 118813099
3-chloro-2-[2-(trifluoromethyl)phenyl]benzoyl chloride
CID 134630863
2-chloro-N,N-dimethyl-6-(trifluoromethyl)aniline
CID 143122342
3-chloro-N,N-dimethyl-2-(trifluoromethyl)aniline
CID 67610403
1-chloro-2-(trifluoromethyl)benzene
CID 161495124
1-chloro-2-(trifluoromethyl)benzene
CID 6921
1,3-difluoro-2-[2-(trifluoromethyl)phenyl]benzene
CID 118991852
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
1,3-dichloro-2-[4-iodo-2-(trifluoromethyl)phenyl]benzene
CID 118994725
2-bromo-1-chloro-3,4-bis[2-(trifluoromethyl)phenyl]benzene
CID 54558536
3-chloro-2-fluoro-N,N-dimethylaniline
CID 138495185
1-chloro-4-(dimethylamino)anthracene-9,10-dione
CID 14225856

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 3-chloro-N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]aniline (CID 134615440) is 3-chloro-N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 3-chloro-N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 3-chloro-N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]aniline is CN(C)c1cccc(Cl)c1-c1ccccc1C(F)(F)F.
What is the InChIKey of 3-chloro-N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]aniline?
The InChIKey is ZJIAYDMRDKHDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N/c1-20(2)13-9-5-8-12(16)14(13)10-6-3-4-7-11(10)15(17,18)19/h3-9H,1-2H3.
What are the key properties of 3-chloro-N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]aniline?
3-chloro-N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]aniline has a molecular weight of 299.72 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 134615440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).