(1S)-1-(3-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine

C16H15F4N — CID 28541344

IUPAC(1S)-1-(3-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESC[C@H](NCc1ccc(C(F)(F)F)cc1)c1cccc(F)c1
InChIInChI=1S/C16H15F4N/c1-11(13-3-2-4-15(17)9-13)21-10-12-5-7-14(8-6-12)16(18,19)20/h2-9,11,21H,10H2,1H3/t11-/m0/s1
InChIKeyWGZVFZUUQPXDBK-NSHDSACASA-N
MW297.30 g/mol
LogP4.70
Rot. Bonds4

About (1S)-1-(3-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine

(1S)-1-(3-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 28541344) has the molecular formula C16H15F4N and a molecular weight of 297.30 g/mol. Its IUPAC name is (1S)-1-(3-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID28541344
Molecular FormulaC16H15F4N
Molecular Weight297.30 g/mol
Exact Mass297.11
IUPAC Name(1S)-1-(3-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESC[C@H](NCc1ccc(C(F)(F)F)cc1)c1cccc(F)c1
InChIInChI=1S/C16H15F4N/c1-11(13-3-2-4-15(17)9-13)21-10-12-5-7-14(8-6-12)16(18,19)20/h2-9,11,21H,10H2,1H3/t11-/m0/s1
InChIKeyWGZVFZUUQPXDBK-NSHDSACASA-N
XLogP4.70
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 ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-propan-2-yloxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 112831409
4-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-N,N-dimethylaniline
CID 28682596
4-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-N-methylbenzamide
CID 28620365
(1S)-N-[(3,4-difluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28682654
4-[[1-(3-fluorophenyl)ethylamino]methyl]benzene-1,2-diol
CID 43182676
(1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81436844
(1S)-N-[(4-fluoro-3-methylphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81365762
methyl 4-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]benzoate
CID 28682924
3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]benzoic acid
CID 103258711
(1S)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81365165
(1S)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 25364114
2-fluoro-4-[[1-(3-fluorophenyl)ethylamino]methyl]benzoic acid
CID 106699898

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of (1S)-1-(3-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine (CID 28541344) is (1S)-1-(3-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for (1S)-1-(3-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for (1S)-1-(3-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine is C[C@H](NCc1ccc(C(F)(F)F)cc1)c1cccc(F)c1.
What is the InChIKey of (1S)-1-(3-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is WGZVFZUUQPXDBK-NSHDSACASA-N. The full InChI is InChI=1S/C16H15F4N/c1-11(13-3-2-4-15(17)9-13)21-10-12-5-7-14(8-6-12)16(18,19)20/h2-9,11,21H,10H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-(3-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine?
(1S)-1-(3-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 297.30 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 28541344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).