N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfanylmethanamine

C10H12F3NS — CID 170424534

IUPACN,N-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfanylmethanamine
SMILESCN(C)CSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3NS/c1-14(2)7-15-9-5-3-4-8(6-9)10(11,12)13/h3-6H,7H2,1-2H3
InChIKeyPXEADOFEHYSDKT-UHFFFAOYSA-N
MW235.27 g/mol
LogP3.32
Rot. Bonds3

About N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfanylmethanamine

N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfanylmethanamine (PubChem CID 170424534) has the molecular formula C10H12F3NS and a molecular weight of 235.27 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfanylmethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfanylmethanamine
PubChem CID170424534
Molecular FormulaC10H12F3NS
Molecular Weight235.27 g/mol
Exact Mass235.06
IUPAC NameN,N-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfanylmethanamine
SMILESCN(C)CSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3NS/c1-14(2)7-15-9-5-3-4-8(6-9)10(11,12)13/h3-6H,7H2,1-2H3
InChIKeyPXEADOFEHYSDKT-UHFFFAOYSA-N
XLogP3.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[methyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]propanoic acid
CID 60987003
3-[2-[3-(trifluoromethyl)phenyl]sulfanylethylsulfanyl]aniline
CID 79128230
N-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]propan-2-amine
CID 60683062
2-methyl-2-[methyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]propanoic acid
CID 62822309
2-[methyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]propanoic acid
CID 62638705
1-(4-bromobutylsulfanyl)-3-(trifluoromethyl)benzene
CID 43624662
1-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]tetrasulfanyl]benzene
CID 54043851
2-[2-[3-(trifluoromethyl)phenyl]sulfanylethylsulfanyl]propan-1-amine
CID 66219357
1-[2-(bromomethyl)-3-methylbutyl]sulfanyl-3-(trifluoromethyl)benzene
CID 65011950
3-[3-(trifluoromethyl)phenyl]sulfanylpropanoic acid
CID 2817407
2-[2-[3-(trifluoromethyl)phenyl]sulfanylethylsulfanyl]ethanol
CID 43417001
1-(9-bromononylsulfanyl)-3-(trifluoromethyl)benzene
CID 105343453

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfanylmethanamine?
The IUPAC name of N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfanylmethanamine (CID 170424534) is N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfanylmethanamine.
What is the SMILES notation for N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfanylmethanamine?
The canonical SMILES for N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfanylmethanamine is CN(C)CSc1cccc(C(F)(F)F)c1.
What is the InChIKey of N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfanylmethanamine?
The InChIKey is PXEADOFEHYSDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NS/c1-14(2)7-15-9-5-3-4-8(6-9)10(11,12)13/h3-6H,7H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfanylmethanamine?
N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfanylmethanamine has a molecular weight of 235.27 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfanylmethanamine is sourced from PubChem (CID 170424534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).