N-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine

C16H15F4N — CID 62801471

IUPACN-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C16H15F4N/c1-2-21-10-11-7-8-15(17)13(9-11)12-5-3-4-6-14(12)16(18,19)20/h3-9,21H,2,10H2,1H3
InChIKeyAKLXEUBIDCARQH-UHFFFAOYSA-N
MW297.30 g/mol
LogP4.62
Rot. Bonds4

About N-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine

N-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine (PubChem CID 62801471) has the molecular formula C16H15F4N and a molecular weight of 297.30 g/mol. Its IUPAC name is N-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
PubChem CID62801471
Molecular FormulaC16H15F4N
Molecular Weight297.30 g/mol
Exact Mass297.11
IUPAC NameN-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C16H15F4N/c1-2-21-10-11-7-8-15(17)13(9-11)12-5-3-4-6-14(12)16(18,19)20/h3-9,21H,2,10H2,1H3
InChIKeyAKLXEUBIDCARQH-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-[[4-fluoro-3-(2-fluorophenyl)phenyl]methyl]ethanamine
CID 62492408
4-(chloromethyl)-1-fluoro-2-[2-(trifluoromethyl)phenyl]benzene
CID 94297138
N-[[3-(3,4-difluorophenyl)-4-fluorophenyl]methyl]ethanamine
CID 61033140
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
N-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]ethanamine
CID 81154048
4-fluoro-3-[2-(trifluoromethyl)phenyl]aniline
CID 112694389
N-[(3-chloro-4-fluorophenyl)methyl]ethanamine
CID 62538918
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2,2-dimethylbutan-1-amine
CID 103460427
N-[[4-(5-bromo-2-fluorophenyl)-3-methylphenyl]methyl]ethanamine
CID 79742796
N-[[4-fluoro-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine
CID 65099885
1-(3-chloro-4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 60615965
N-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]ethanamine
CID 79991736

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine (CID 62801471) is N-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine is CCNCc1ccc(F)c(-c2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine?
The InChIKey is AKLXEUBIDCARQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N/c1-2-21-10-11-7-8-15(17)13(9-11)12-5-3-4-6-14(12)16(18,19)20/h3-9,21H,2,10H2,1H3.
What are the key properties of N-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine?
N-[[4-fluoro-3-[2-(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-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 62801471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).