2-ethyl-4-(2,4,5-trifluorophenyl)aniline

C14H12F3N — CID 115503112

IUPAC2-ethyl-4-(2,4,5-trifluorophenyl)aniline
SMILESCCc1cc(-c2cc(F)c(F)cc2F)ccc1N
InChIInChI=1S/C14H12F3N/c1-2-8-5-9(3-4-14(8)18)10-6-12(16)13(17)7-11(10)15/h3-7H,2,18H2,1H3
InChIKeyKPNIINWMSVYCPJ-UHFFFAOYSA-N
MW251.25 g/mol
LogP3.92
Rot. Bonds2

About 2-ethyl-4-(2,4,5-trifluorophenyl)aniline

2-ethyl-4-(2,4,5-trifluorophenyl)aniline (PubChem CID 115503112) has the molecular formula C14H12F3N and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-ethyl-4-(2,4,5-trifluorophenyl)aniline.

Molecular Properties

Compound Name2-ethyl-4-(2,4,5-trifluorophenyl)aniline
PubChem CID115503112
Molecular FormulaC14H12F3N
Molecular Weight251.25 g/mol
Exact Mass251.09
IUPAC Name2-ethyl-4-(2,4,5-trifluorophenyl)aniline
SMILESCCc1cc(-c2cc(F)c(F)cc2F)ccc1N
InChIInChI=1S/C14H12F3N/c1-2-8-5-9(3-4-14(8)18)10-6-12(16)13(17)7-11(10)15/h3-7H,2,18H2,1H3
InChIKeyKPNIINWMSVYCPJ-UHFFFAOYSA-N
XLogP3.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(4-chloro-2-fluorophenyl)-2-ethylaniline
CID 81288774
2-ethyl-4-(3-fluoro-2-methylphenyl)aniline
CID 113324468
bis(4-(4-amino-3-ethylphenyl)-2-ethylaniline);hydrate
CID 174861024
4-(3,5-difluorophenyl)-2-ethylaniline
CID 81287141
4-(4-chloro-2-methylphenyl)-2-ethylaniline
CID 172652422
2-ethyl-4-(5-fluoro-2-methoxyphenyl)aniline
CID 81289951
5-(3,4-difluorophenyl)-2-ethylaniline
CID 82082698
4-(3,4-dimethylphenyl)-2-ethylaniline
CID 81287148
2-ethyl-4-[4-(trifluoromethyl)phenyl]aniline
CID 81288373
1-[2-fluoro-4-(2,4,5-trifluorophenyl)phenyl]-N-methylmethanamine
CID 115503173
[2-ethoxy-4-(2,4,5-trifluorophenyl)phenyl]methanol
CID 172651631
2-ethyl-4-(5-methylthiophen-2-yl)aniline
CID 67522435

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2,4,5-trifluorophenyl)aniline?
The IUPAC name of 2-ethyl-4-(2,4,5-trifluorophenyl)aniline (CID 115503112) is 2-ethyl-4-(2,4,5-trifluorophenyl)aniline.
What is the SMILES notation for 2-ethyl-4-(2,4,5-trifluorophenyl)aniline?
The canonical SMILES for 2-ethyl-4-(2,4,5-trifluorophenyl)aniline is CCc1cc(-c2cc(F)c(F)cc2F)ccc1N.
What is the InChIKey of 2-ethyl-4-(2,4,5-trifluorophenyl)aniline?
The InChIKey is KPNIINWMSVYCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N/c1-2-8-5-9(3-4-14(8)18)10-6-12(16)13(17)7-11(10)15/h3-7H,2,18H2,1H3.
What are the key properties of 2-ethyl-4-(2,4,5-trifluorophenyl)aniline?
2-ethyl-4-(2,4,5-trifluorophenyl)aniline has a molecular weight of 251.25 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2,4,5-trifluorophenyl)aniline is sourced from PubChem (CID 115503112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).