3-(3-methylphenyl)-5-(trifluoromethoxy)aniline

C14H12F3NO — CID 166176237

IUPAC3-(3-methylphenyl)-5-(trifluoromethoxy)aniline
SMILESCc1cccc(-c2cc(N)cc(OC(F)(F)F)c2)c1
InChIInChI=1S/C14H12F3NO/c1-9-3-2-4-10(5-9)11-6-12(18)8-13(7-11)19-14(15,16)17/h2-8H,18H2,1H3
InChIKeyJWQARJXPNTYCOD-UHFFFAOYSA-N
MW267.25 g/mol
LogP4.14
Rot. Bonds2

About 3-(3-methylphenyl)-5-(trifluoromethoxy)aniline

3-(3-methylphenyl)-5-(trifluoromethoxy)aniline (PubChem CID 166176237) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 3-(3-methylphenyl)-5-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name3-(3-methylphenyl)-5-(trifluoromethoxy)aniline
PubChem CID166176237
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name3-(3-methylphenyl)-5-(trifluoromethoxy)aniline
SMILESCc1cccc(-c2cc(N)cc(OC(F)(F)F)c2)c1
InChIInChI=1S/C14H12F3NO/c1-9-3-2-4-10(5-9)11-6-12(18)8-13(7-11)19-14(15,16)17/h2-8H,18H2,1H3
InChIKeyJWQARJXPNTYCOD-UHFFFAOYSA-N
XLogP4.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[3-(3-methylphenyl)-5-(trifluoromethoxy)phenyl]methanol
CID 156591988
3-(3-aminophenyl)-5-(trifluoromethoxy)phenol
CID 53221916
1-methyl-3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzene
CID 169072366
3-(difluoromethyl)-5-[3-(trifluoromethoxy)phenyl]aniline
CID 171394040
ethane;1-methyl-3-(trifluoromethoxy)benzene
CID 142064343
4-methyl-2,6-bis[3-(trifluoromethoxy)phenyl]aniline
CID 23628482
3-(2-methoxyphenyl)-5-(trifluoromethoxy)aniline
CID 166176231
1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene
CID 140856009
3-(3-hydroxyphenyl)-5-(trifluoromethoxy)phenol
CID 53221920
1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene
CID 69482191
3-methyl-5-(3-propan-2-yloxyphenyl)aniline
CID 107579616
[3-(trifluoromethoxy)-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 171365458

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-5-(trifluoromethoxy)aniline?
The IUPAC name of 3-(3-methylphenyl)-5-(trifluoromethoxy)aniline (CID 166176237) is 3-(3-methylphenyl)-5-(trifluoromethoxy)aniline.
What is the SMILES notation for 3-(3-methylphenyl)-5-(trifluoromethoxy)aniline?
The canonical SMILES for 3-(3-methylphenyl)-5-(trifluoromethoxy)aniline is Cc1cccc(-c2cc(N)cc(OC(F)(F)F)c2)c1.
What is the InChIKey of 3-(3-methylphenyl)-5-(trifluoromethoxy)aniline?
The InChIKey is JWQARJXPNTYCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c1-9-3-2-4-10(5-9)11-6-12(18)8-13(7-11)19-14(15,16)17/h2-8H,18H2,1H3.
What are the key properties of 3-(3-methylphenyl)-5-(trifluoromethoxy)aniline?
3-(3-methylphenyl)-5-(trifluoromethoxy)aniline has a molecular weight of 267.25 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-5-(trifluoromethoxy)aniline is sourced from PubChem (CID 166176237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).