2-(4-methylphenyl)-5-(trifluoromethoxy)aniline

C14H12F3NO — CID 146015319

IUPAC2-(4-methylphenyl)-5-(trifluoromethoxy)aniline
SMILESCc1ccc(-c2ccc(OC(F)(F)F)cc2N)cc1
InChIInChI=1S/C14H12F3NO/c1-9-2-4-10(5-3-9)12-7-6-11(8-13(12)18)19-14(15,16)17/h2-8H,18H2,1H3
InChIKeyMVJLMWUKIGFZTH-UHFFFAOYSA-N
MW267.25 g/mol
LogP4.14
Rot. Bonds2

About 2-(4-methylphenyl)-5-(trifluoromethoxy)aniline

2-(4-methylphenyl)-5-(trifluoromethoxy)aniline (PubChem CID 146015319) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-(trifluoromethoxy)aniline
PubChem CID146015319
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name2-(4-methylphenyl)-5-(trifluoromethoxy)aniline
SMILESCc1ccc(-c2ccc(OC(F)(F)F)cc2N)cc1
InChIInChI=1S/C14H12F3NO/c1-9-2-4-10(5-3-9)12-7-6-11(8-13(12)18)19-14(15,16)17/h2-8H,18H2,1H3
InChIKeyMVJLMWUKIGFZTH-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

2-(4-fluorophenyl)-5-(trifluoromethoxy)aniline
CID 146015322
2-(2-fluoro-5-methylphenyl)-5-(trifluoromethoxy)aniline
CID 172676635
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815
3-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 54912465
2-(2-fluoro-4-methylphenyl)-4-(trifluoromethoxy)aniline
CID 172676517
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
3-(4-methoxyphenyl)-5-(trifluoromethoxy)benzene-1,2-diamine
CID 89404596
2-(1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethoxy)aniline
CID 171391053
4-(trifluoromethoxy)-2-[4-(trifluoromethyl)phenyl]aniline
CID 119006097
5-chloro-2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 171916719
2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 54912467
4-N,4-N,2-trimethyl-5-[4-(trifluoromethoxy)phenyl]benzene-1,4-diamine
CID 59820952

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-(trifluoromethoxy)aniline?
The IUPAC name of 2-(4-methylphenyl)-5-(trifluoromethoxy)aniline (CID 146015319) is 2-(4-methylphenyl)-5-(trifluoromethoxy)aniline.
What is the SMILES notation for 2-(4-methylphenyl)-5-(trifluoromethoxy)aniline?
The canonical SMILES for 2-(4-methylphenyl)-5-(trifluoromethoxy)aniline is Cc1ccc(-c2ccc(OC(F)(F)F)cc2N)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-(trifluoromethoxy)aniline?
The InChIKey is MVJLMWUKIGFZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c1-9-2-4-10(5-3-9)12-7-6-11(8-13(12)18)19-14(15,16)17/h2-8H,18H2,1H3.
What are the key properties of 2-(4-methylphenyl)-5-(trifluoromethoxy)aniline?
2-(4-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 2-(4-methylphenyl)-5-(trifluoromethoxy)aniline is sourced from PubChem (CID 146015319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).