N-[1-(3-fluorophenyl)ethyl]-2-methyl-5-(trifluoromethyl)aniline

C16H15F4N — CID 66479729

IUPACN-[1-(3-fluorophenyl)ethyl]-2-methyl-5-(trifluoromethyl)aniline
SMILESCc1ccc(C(F)(F)F)cc1NC(C)c1cccc(F)c1
InChIInChI=1S/C16H15F4N/c1-10-6-7-13(16(18,19)20)9-15(10)21-11(2)12-4-3-5-14(17)8-12/h3-9,11,21H,1-2H3
InChIKeyORAVZOFVEDOBGO-UHFFFAOYSA-N
MW297.30 g/mol
LogP5.33
Rot. Bonds3

About N-[1-(3-fluorophenyl)ethyl]-2-methyl-5-(trifluoromethyl)aniline

N-[1-(3-fluorophenyl)ethyl]-2-methyl-5-(trifluoromethyl)aniline (PubChem CID 66479729) has the molecular formula C16H15F4N and a molecular weight of 297.30 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)ethyl]-2-methyl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)ethyl]-2-methyl-5-(trifluoromethyl)aniline
PubChem CID66479729
Molecular FormulaC16H15F4N
Molecular Weight297.30 g/mol
Exact Mass297.11
IUPAC NameN-[1-(3-fluorophenyl)ethyl]-2-methyl-5-(trifluoromethyl)aniline
SMILESCc1ccc(C(F)(F)F)cc1NC(C)c1cccc(F)c1
InChIInChI=1S/C16H15F4N/c1-10-6-7-13(16(18,19)20)9-15(10)21-11(2)12-4-3-5-14(17)8-12/h3-9,11,21H,1-2H3
InChIKeyORAVZOFVEDOBGO-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.30
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 43094249
2-bromo-5-fluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 107633051
2,4-difluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 43107244
N-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methylaniline
CID 43093379
2-bromo-4-fluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 43119400
4-fluoro-2-iodo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 79758863
N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 60631349
5-chloro-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
CID 43099949
5-bromo-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
CID 43729368
3-bromo-N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)aniline
CID 65491388
2-tert-butyl-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43682980
(1S)-1-(3-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 28541344

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)ethyl]-2-methyl-5-(trifluoromethyl)aniline?
The IUPAC name of N-[1-(3-fluorophenyl)ethyl]-2-methyl-5-(trifluoromethyl)aniline (CID 66479729) is N-[1-(3-fluorophenyl)ethyl]-2-methyl-5-(trifluoromethyl)aniline.
What is the SMILES notation for N-[1-(3-fluorophenyl)ethyl]-2-methyl-5-(trifluoromethyl)aniline?
The canonical SMILES for N-[1-(3-fluorophenyl)ethyl]-2-methyl-5-(trifluoromethyl)aniline is Cc1ccc(C(F)(F)F)cc1NC(C)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)ethyl]-2-methyl-5-(trifluoromethyl)aniline?
The InChIKey is ORAVZOFVEDOBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N/c1-10-6-7-13(16(18,19)20)9-15(10)21-11(2)12-4-3-5-14(17)8-12/h3-9,11,21H,1-2H3.
What are the key properties of N-[1-(3-fluorophenyl)ethyl]-2-methyl-5-(trifluoromethyl)aniline?
N-[1-(3-fluorophenyl)ethyl]-2-methyl-5-(trifluoromethyl)aniline has a molecular weight of 297.30 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)ethyl]-2-methyl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 66479729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).