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

C15H13ClF3NO — CID 118807452

IUPAC2-chloro-N,N-dimethyl-4-[2-(trifluoromethoxy)phenyl]aniline
SMILESCN(C)c1ccc(-c2ccccc2OC(F)(F)F)cc1Cl
InChIInChI=1S/C15H13ClF3NO/c1-20(2)13-8-7-10(9-12(13)16)11-5-3-4-6-14(11)21-15(17,18)19/h3-9H,1-2H3
InChIKeyAIRDCRDCBVJCFV-UHFFFAOYSA-N
MW315.72 g/mol
LogP4.97
Rot. Bonds3

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

2-chloro-N,N-dimethyl-4-[2-(trifluoromethoxy)phenyl]aniline (PubChem CID 118807452) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-4-[2-(trifluoromethoxy)phenyl]aniline.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-4-[2-(trifluoromethoxy)phenyl]aniline
PubChem CID118807452
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name2-chloro-N,N-dimethyl-4-[2-(trifluoromethoxy)phenyl]aniline
SMILESCN(C)c1ccc(-c2ccccc2OC(F)(F)F)cc1Cl
InChIInChI=1S/C15H13ClF3NO/c1-20(2)13-8-7-10(9-12(13)16)11-5-3-4-6-14(11)21-15(17,18)19/h3-9H,1-2H3
InChIKeyAIRDCRDCBVJCFV-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

1-chloro-2-methyl-4-[2-(trifluoromethoxy)phenyl]benzene
CID 134627988
3-chloro-N,N-dimethyl-5-[2-(trifluoromethoxy)phenyl]aniline
CID 118846901
2-chloro-4-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 134625852
3-chloro-2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine
CID 134625989
1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 46313769
2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118811736
1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene
CID 69482191
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene
CID 90959680
1-(chloromethyl)-2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118850748
1-bromo-4-[2-(trifluoromethoxy)phenyl]benzene
CID 123878641
4-[2-(trifluoromethoxy)phenyl]aniline
CID 16768545

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-4-[2-(trifluoromethoxy)phenyl]aniline?
The IUPAC name of 2-chloro-N,N-dimethyl-4-[2-(trifluoromethoxy)phenyl]aniline (CID 118807452) is 2-chloro-N,N-dimethyl-4-[2-(trifluoromethoxy)phenyl]aniline.
What is the SMILES notation for 2-chloro-N,N-dimethyl-4-[2-(trifluoromethoxy)phenyl]aniline?
The canonical SMILES for 2-chloro-N,N-dimethyl-4-[2-(trifluoromethoxy)phenyl]aniline is CN(C)c1ccc(-c2ccccc2OC(F)(F)F)cc1Cl.
What is the InChIKey of 2-chloro-N,N-dimethyl-4-[2-(trifluoromethoxy)phenyl]aniline?
The InChIKey is AIRDCRDCBVJCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c1-20(2)13-8-7-10(9-12(13)16)11-5-3-4-6-14(11)21-15(17,18)19/h3-9H,1-2H3.
What are the key properties of 2-chloro-N,N-dimethyl-4-[2-(trifluoromethoxy)phenyl]aniline?
2-chloro-N,N-dimethyl-4-[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 2-chloro-N,N-dimethyl-4-[2-(trifluoromethoxy)phenyl]aniline is sourced from PubChem (CID 118807452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).