N-[(2,3-dimethylphenyl)methyl]-2-(trifluoromethoxy)aniline

C16H16F3NO — CID 63422368

IUPACN-[(2,3-dimethylphenyl)methyl]-2-(trifluoromethoxy)aniline
SMILESCc1cccc(CNc2ccccc2OC(F)(F)F)c1C
InChIInChI=1S/C16H16F3NO/c1-11-6-5-7-13(12(11)2)10-20-14-8-3-4-9-15(14)21-16(17,18)19/h3-9,20H,10H2,1-2H3
InChIKeyZVQACSOKJOPWDW-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.81
Rot. Bonds4

About N-[(2,3-dimethylphenyl)methyl]-2-(trifluoromethoxy)aniline

N-[(2,3-dimethylphenyl)methyl]-2-(trifluoromethoxy)aniline (PubChem CID 63422368) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)methyl]-2-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)methyl]-2-(trifluoromethoxy)aniline
PubChem CID63422368
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC NameN-[(2,3-dimethylphenyl)methyl]-2-(trifluoromethoxy)aniline
SMILESCc1cccc(CNc2ccccc2OC(F)(F)F)c1C
InChIInChI=1S/C16H16F3NO/c1-11-6-5-7-13(12(11)2)10-20-14-8-3-4-9-15(14)21-16(17,18)19/h3-9,20H,10H2,1-2H3
InChIKeyZVQACSOKJOPWDW-UHFFFAOYSA-N
XLogP4.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline
CID 63454704
N-[(2,3-dimethylphenyl)methyl]-2-methylaniline
CID 54944772
N-[(2-bromophenyl)methyl]-2-(trifluoromethoxy)aniline
CID 29294059
N-[(2,3-dimethylphenyl)methyl]-2-fluoro-3-methylaniline
CID 114254476
N-[(2,3-dimethylphenyl)methyl]-2-ethylaniline
CID 55197489
N-[(3-methylfuran-2-yl)methyl]-2-(trifluoromethoxy)aniline
CID 115743509
4-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine
CID 63329883
1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 60699442
N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethoxy)aniline
CID 29291752
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 38512223
N-(2-ethylphenyl)-2-[2-(trifluoromethoxy)anilino]acetamide
CID 30644748
3-[[2-(trifluoromethoxy)anilino]methyl]pyridine-2-carbonitrile
CID 62895868

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)methyl]-2-(trifluoromethoxy)aniline?
The IUPAC name of N-[(2,3-dimethylphenyl)methyl]-2-(trifluoromethoxy)aniline (CID 63422368) is N-[(2,3-dimethylphenyl)methyl]-2-(trifluoromethoxy)aniline.
What is the SMILES notation for N-[(2,3-dimethylphenyl)methyl]-2-(trifluoromethoxy)aniline?
The canonical SMILES for N-[(2,3-dimethylphenyl)methyl]-2-(trifluoromethoxy)aniline is Cc1cccc(CNc2ccccc2OC(F)(F)F)c1C.
What is the InChIKey of N-[(2,3-dimethylphenyl)methyl]-2-(trifluoromethoxy)aniline?
The InChIKey is ZVQACSOKJOPWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-11-6-5-7-13(12(11)2)10-20-14-8-3-4-9-15(14)21-16(17,18)19/h3-9,20H,10H2,1-2H3.
What are the key properties of N-[(2,3-dimethylphenyl)methyl]-2-(trifluoromethoxy)aniline?
N-[(2,3-dimethylphenyl)methyl]-2-(trifluoromethoxy)aniline has a molecular weight of 295.30 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenyl)methyl]-2-(trifluoromethoxy)aniline is sourced from PubChem (CID 63422368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).