N-[[2-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine

C16H15F4N — CID 62587369

IUPACN-[[2-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
SMILESCCNCc1cc(-c2cccc(C(F)(F)F)c2)ccc1F
InChIInChI=1S/C16H15F4N/c1-2-21-10-13-8-12(6-7-15(13)17)11-4-3-5-14(9-11)16(18,19)20/h3-9,21H,2,10H2,1H3
InChIKeyOARGAMGERIBHKT-UHFFFAOYSA-N
MW297.30 g/mol
LogP4.62
Rot. Bonds4

About N-[[2-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine

N-[[2-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine (PubChem CID 62587369) has the molecular formula C16H15F4N and a molecular weight of 297.30 g/mol. Its IUPAC name is N-[[2-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
PubChem CID62587369
Molecular FormulaC16H15F4N
Molecular Weight297.30 g/mol
Exact Mass297.11
IUPAC NameN-[[2-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
SMILESCCNCc1cc(-c2cccc(C(F)(F)F)c2)ccc1F
InChIInChI=1S/C16H15F4N/c1-2-21-10-13-8-12(6-7-15(13)17)11-4-3-5-14(9-11)16(18,19)20/h3-9,21H,2,10H2,1H3
InChIKeyOARGAMGERIBHKT-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[5-(3,5-dimethylphenyl)-2-fluorophenyl]methyl]ethanamine
CID 63424375
N-[[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]ethanamine
CID 79484566
N-[[2-fluoro-5-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 61033146
N-[[5-(2,6-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 116810961
N-[[5-(3,4-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 61026053
N-[[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]ethanamine
CID 62757672
2-(ethylaminomethyl)-5-(trifluoromethyl)phenol
CID 82549994
N-[[5-(2,4-difluorophenyl)-2-fluorophenyl]methyl]ethanamine
CID 61032625
N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]ethanamine
CID 105350026
N-[[2-fluoro-5-(1H-pyrrol-2-yl)phenyl]methyl]ethanamine
CID 103341614
N-[[4-methyl-3-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
CID 105408643
4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol
CID 142750929

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine (CID 62587369) is N-[[2-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine is CCNCc1cc(-c2cccc(C(F)(F)F)c2)ccc1F.
What is the InChIKey of N-[[2-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine?
The InChIKey is OARGAMGERIBHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N/c1-2-21-10-13-8-12(6-7-15(13)17)11-4-3-5-14(9-11)16(18,19)20/h3-9,21H,2,10H2,1H3.
What are the key properties of N-[[2-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine?
N-[[2-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine has a molecular weight of 297.30 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 62587369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).