3-methyl-4-[4-(trifluoromethoxy)phenyl]aniline

C14H12F3NO — CID 54912465

IUPAC3-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
SMILESCc1cc(N)ccc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H12F3NO/c1-9-8-11(18)4-7-13(9)10-2-5-12(6-3-10)19-14(15,16)17/h2-8H,18H2,1H3
InChIKeyKTWRDGGGEGXLMW-UHFFFAOYSA-N
MW267.25 g/mol
LogP4.14
Rot. Bonds2

About 3-methyl-4-[4-(trifluoromethoxy)phenyl]aniline

3-methyl-4-[4-(trifluoromethoxy)phenyl]aniline (PubChem CID 54912465) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 3-methyl-4-[4-(trifluoromethoxy)phenyl]aniline.

Molecular Properties

Compound Name3-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
PubChem CID54912465
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name3-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
SMILESCc1cc(N)ccc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H12F3NO/c1-9-8-11(18)4-7-13(9)10-2-5-12(6-3-10)19-14(15,16)17/h2-8H,18H2,1H3
InChIKeyKTWRDGGGEGXLMW-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

4-fluoro-3-[4-(trifluoromethoxy)phenyl]aniline
CID 112694313
2-(4-methylphenyl)-5-(trifluoromethoxy)aniline
CID 146015319
4-[4-[4-[4-amino-2-(trifluoromethyl)phenyl]phenyl]phenyl]-3-methylaniline
CID 170266599
4-pyrrolidin-1-yl-3-[4-(trifluoromethoxy)phenyl]aniline
CID 58008274
N-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 66478855
5-chloro-2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 171916719
2-methyl-1-[4-(trifluoromethoxy)phenyl]-4-[9-[4-[4-(trifluoromethoxy)phenyl]phenyl]nonyl]benzene
CID 155259559
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
2-fluoro-4-[[3-fluoro-4-[3-methyl-4-(4-methylphenyl)phenyl]phenyl]methyl]-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]benzene
CID 118260647
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815
2-(4-fluorophenyl)-5-(trifluoromethoxy)aniline
CID 146015322

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[4-(trifluoromethoxy)phenyl]aniline?
The IUPAC name of 3-methyl-4-[4-(trifluoromethoxy)phenyl]aniline (CID 54912465) is 3-methyl-4-[4-(trifluoromethoxy)phenyl]aniline.
What is the SMILES notation for 3-methyl-4-[4-(trifluoromethoxy)phenyl]aniline?
The canonical SMILES for 3-methyl-4-[4-(trifluoromethoxy)phenyl]aniline is Cc1cc(N)ccc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-methyl-4-[4-(trifluoromethoxy)phenyl]aniline?
The InChIKey is KTWRDGGGEGXLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c1-9-8-11(18)4-7-13(9)10-2-5-12(6-3-10)19-14(15,16)17/h2-8H,18H2,1H3.
What are the key properties of 3-methyl-4-[4-(trifluoromethoxy)phenyl]aniline?
3-methyl-4-[4-(trifluoromethoxy)phenyl]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-methyl-4-[4-(trifluoromethoxy)phenyl]aniline is sourced from PubChem (CID 54912465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).