5-chloro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline

C15H13ClF3NO — CID 118813118

IUPAC5-chloro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline
SMILESCN(C)c1cc(Cl)ccc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H13ClF3NO/c1-20(2)14-9-11(16)5-8-13(14)10-3-6-12(7-4-10)21-15(17,18)19/h3-9H,1-2H3
InChIKeyKRIBVAHVBHGTEG-UHFFFAOYSA-N
MW315.72 g/mol
LogP4.97
Rot. Bonds3

About 5-chloro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline

5-chloro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline (PubChem CID 118813118) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 5-chloro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline.

Molecular Properties

Compound Name5-chloro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline
PubChem CID118813118
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name5-chloro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline
SMILESCN(C)c1cc(Cl)ccc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H13ClF3NO/c1-20(2)14-9-11(16)5-8-13(14)10-3-6-12(7-4-10)21-15(17,18)19/h3-9H,1-2H3
InChIKeyKRIBVAHVBHGTEG-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

2,4-dichloro-1-[4-(trifluoromethoxy)phenyl]benzene
CID 119008449
4-chloro-1-methoxy-2-[4-(trifluoromethoxy)phenyl]benzene
CID 134629678
4-fluoro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline
CID 166640991
4-chloro-2-(difluoromethyl)-1-[4-(trifluoromethoxy)phenyl]benzene
CID 118844964
4-N,4-N,2-trimethyl-5-[4-(trifluoromethoxy)phenyl]benzene-1,4-diamine
CID 59820952
2-fluoro-N,N-dimethyl-5-(trifluoromethoxy)aniline
CID 118824858
2-fluoro-N,N-dimethyl-4-(trifluoromethoxy)aniline
CID 118847370
1,2,5-trichloro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 119016233
2-chloro-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene
CID 118999105
5-(4-chloro-2-fluorophenyl)-2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene
CID 58738407
4-fluoro-3-[4-(trifluoromethoxy)phenyl]aniline
CID 112694313
N-[(4-tert-butylphenyl)methyl]-4-chloro-2-[4-(trifluoromethoxy)phenyl]aniline
CID 59820940

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline?
The IUPAC name of 5-chloro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline (CID 118813118) is 5-chloro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline.
What is the SMILES notation for 5-chloro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline?
The canonical SMILES for 5-chloro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline is CN(C)c1cc(Cl)ccc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-chloro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline?
The InChIKey is KRIBVAHVBHGTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c1-20(2)14-9-11(16)5-8-13(14)10-3-6-12(7-4-10)21-15(17,18)19/h3-9H,1-2H3.
What are the key properties of 5-chloro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline?
5-chloro-N,N-dimethyl-2-[4-(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 5-chloro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline is sourced from PubChem (CID 118813118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).