3-chloro-N,N-dimethyl-5-[2-(trifluoromethoxy)phenyl]aniline

C15H13ClF3NO — CID 118846901

IUPAC3-chloro-N,N-dimethyl-5-[2-(trifluoromethoxy)phenyl]aniline
SMILESCN(C)c1cc(Cl)cc(-c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C15H13ClF3NO/c1-20(2)12-8-10(7-11(16)9-12)13-5-3-4-6-14(13)21-15(17,18)19/h3-9H,1-2H3
InChIKeyMMYSSDOIIMHHFE-UHFFFAOYSA-N
MW315.72 g/mol
LogP4.97
Rot. Bonds3

About 3-chloro-N,N-dimethyl-5-[2-(trifluoromethoxy)phenyl]aniline

3-chloro-N,N-dimethyl-5-[2-(trifluoromethoxy)phenyl]aniline (PubChem CID 118846901) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 3-chloro-N,N-dimethyl-5-[2-(trifluoromethoxy)phenyl]aniline.

Molecular Properties

Compound Name3-chloro-N,N-dimethyl-5-[2-(trifluoromethoxy)phenyl]aniline
PubChem CID118846901
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name3-chloro-N,N-dimethyl-5-[2-(trifluoromethoxy)phenyl]aniline
SMILESCN(C)c1cc(Cl)cc(-c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C15H13ClF3NO/c1-20(2)12-8-10(7-11(16)9-12)13-5-3-4-6-14(13)21-15(17,18)19/h3-9H,1-2H3
InChIKeyMMYSSDOIIMHHFE-UHFFFAOYSA-N
XLogP4.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine
CID 134626259
3-chloro-5-[2-(trifluoromethoxy)phenyl]benzonitrile
CID 134629802
2-chloro-N,N-dimethyl-4-[2-(trifluoromethoxy)phenyl]aniline
CID 118807452
1-chloro-2-methyl-4-[2-(trifluoromethoxy)phenyl]benzene
CID 134627988
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene
CID 69482191
2,6-dimethyl-4-[2-(trifluoromethoxy)phenyl]benzaldehyde
CID 172876941
3-chloro-2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine
CID 134625989
1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene
CID 90959680
1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 46313769
1,2,4-trichloro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 118848876
2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118811736

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-dimethyl-5-[2-(trifluoromethoxy)phenyl]aniline?
The IUPAC name of 3-chloro-N,N-dimethyl-5-[2-(trifluoromethoxy)phenyl]aniline (CID 118846901) is 3-chloro-N,N-dimethyl-5-[2-(trifluoromethoxy)phenyl]aniline.
What is the SMILES notation for 3-chloro-N,N-dimethyl-5-[2-(trifluoromethoxy)phenyl]aniline?
The canonical SMILES for 3-chloro-N,N-dimethyl-5-[2-(trifluoromethoxy)phenyl]aniline is CN(C)c1cc(Cl)cc(-c2ccccc2OC(F)(F)F)c1.
What is the InChIKey of 3-chloro-N,N-dimethyl-5-[2-(trifluoromethoxy)phenyl]aniline?
The InChIKey is MMYSSDOIIMHHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c1-20(2)12-8-10(7-11(16)9-12)13-5-3-4-6-14(13)21-15(17,18)19/h3-9H,1-2H3.
What are the key properties of 3-chloro-N,N-dimethyl-5-[2-(trifluoromethoxy)phenyl]aniline?
3-chloro-N,N-dimethyl-5-[2-(trifluoromethoxy)phenyl]aniline has a molecular weight of 315.72 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-dimethyl-5-[2-(trifluoromethoxy)phenyl]aniline is sourced from PubChem (CID 118846901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).