N,N-dimethyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]methanamine

C16H16F3NS — CID 826771

IUPACN,N-dimethyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]methanamine
SMILESCN(C)Cc1ccccc1Sc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3NS/c1-20(2)11-12-6-3-4-9-15(12)21-14-8-5-7-13(10-14)16(17,18)19/h3-10H,11H2,1-2H3
InChIKeyTVYXGLWTICSLOM-UHFFFAOYSA-N
MW311.37 g/mol
LogP4.92
Rot. Bonds4

About N,N-dimethyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]methanamine

N,N-dimethyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]methanamine (PubChem CID 826771) has the molecular formula C16H16F3NS and a molecular weight of 311.37 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]methanamine
PubChem CID826771
Molecular FormulaC16H16F3NS
Molecular Weight311.37 g/mol
Exact Mass311.10
IUPAC NameN,N-dimethyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]methanamine
SMILESCN(C)Cc1ccccc1Sc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3NS/c1-20(2)11-12-6-3-4-9-15(12)21-14-8-5-7-13(10-14)16(17,18)19/h3-10H,11H2,1-2H3
InChIKeyTVYXGLWTICSLOM-UHFFFAOYSA-N
XLogP4.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]methanamine (CID 826771) is N,N-dimethyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]methanamine is CN(C)Cc1ccccc1Sc1cccc(C(F)(F)F)c1.
What is the InChIKey of N,N-dimethyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]methanamine?
The InChIKey is TVYXGLWTICSLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NS/c1-20(2)11-12-6-3-4-9-15(12)21-14-8-5-7-13(10-14)16(17,18)19/h3-10H,11H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]methanamine?
N,N-dimethyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]methanamine has a molecular weight of 311.37 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]methanamine is sourced from PubChem (CID 826771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).