1-phenyl-N-[[2-(trifluoromethylsulfanyl)phenyl]methyl]methanamine

C15H14F3NS — CID 165476489

IUPAC1-phenyl-N-[[2-(trifluoromethylsulfanyl)phenyl]methyl]methanamine
SMILESFC(F)(F)Sc1ccccc1CNCc1ccccc1
InChIInChI=1S/C15H14F3NS/c16-15(17,18)20-14-9-5-4-8-13(14)11-19-10-12-6-2-1-3-7-12/h1-9,19H,10-11H2
InChIKeyDEHBIIXQHOXEGS-UHFFFAOYSA-N
MW297.35 g/mol
LogP4.59
Rot. Bonds5

About 1-phenyl-N-[[2-(trifluoromethylsulfanyl)phenyl]methyl]methanamine

1-phenyl-N-[[2-(trifluoromethylsulfanyl)phenyl]methyl]methanamine (PubChem CID 165476489) has the molecular formula C15H14F3NS and a molecular weight of 297.35 g/mol. Its IUPAC name is 1-phenyl-N-[[2-(trifluoromethylsulfanyl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-phenyl-N-[[2-(trifluoromethylsulfanyl)phenyl]methyl]methanamine
PubChem CID165476489
Molecular FormulaC15H14F3NS
Molecular Weight297.35 g/mol
Exact Mass297.08
IUPAC Name1-phenyl-N-[[2-(trifluoromethylsulfanyl)phenyl]methyl]methanamine
SMILESFC(F)(F)Sc1ccccc1CNCc1ccccc1
InChIInChI=1S/C15H14F3NS/c16-15(17,18)20-14-9-5-4-8-13(14)11-19-10-12-6-2-1-3-7-12/h1-9,19H,10-11H2
InChIKeyDEHBIIXQHOXEGS-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine
CID 29053761
1-phenyl-N-[(2-prop-2-enylsulfanylphenyl)methyl]methanamine
CID 24805522
3-[2-(trifluoromethylsulfanyl)phenyl]propanal
CID 166641171
2-[(benzylamino)methyl]phenol chloride
CID 53350489
1,2-bis(trifluoromethylsulfanyl)benzene
CID 90684724
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
N-[(2,3-difluorophenyl)methyl]-1-phenylmethanamine
CID 43424966
N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine
CID 42776865
N-[(4-ethylphenyl)methyl]-2-(trifluoromethylsulfanyl)aniline
CID 43676654
1-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 834369
(2R)-3-(benzylamino)-1,1,1-trifluoropropan-2-ol
CID 1477381

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[[2-(trifluoromethylsulfanyl)phenyl]methyl]methanamine?
The IUPAC name of 1-phenyl-N-[[2-(trifluoromethylsulfanyl)phenyl]methyl]methanamine (CID 165476489) is 1-phenyl-N-[[2-(trifluoromethylsulfanyl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-phenyl-N-[[2-(trifluoromethylsulfanyl)phenyl]methyl]methanamine?
The canonical SMILES for 1-phenyl-N-[[2-(trifluoromethylsulfanyl)phenyl]methyl]methanamine is FC(F)(F)Sc1ccccc1CNCc1ccccc1.
What is the InChIKey of 1-phenyl-N-[[2-(trifluoromethylsulfanyl)phenyl]methyl]methanamine?
The InChIKey is DEHBIIXQHOXEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NS/c16-15(17,18)20-14-9-5-4-8-13(14)11-19-10-12-6-2-1-3-7-12/h1-9,19H,10-11H2.
What are the key properties of 1-phenyl-N-[[2-(trifluoromethylsulfanyl)phenyl]methyl]methanamine?
1-phenyl-N-[[2-(trifluoromethylsulfanyl)phenyl]methyl]methanamine has a molecular weight of 297.35 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[[2-(trifluoromethylsulfanyl)phenyl]methyl]methanamine is sourced from PubChem (CID 165476489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).