3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine

C11H14F3NS — CID 105142670

IUPAC3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
SMILESCSCCC(N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H14F3NS/c1-16-7-6-10(15)8-2-4-9(5-3-8)11(12,13)14/h2-5,10H,6-7,15H2,1H3
InChIKeySQPMLFRHEPWRIP-UHFFFAOYSA-N
MW249.30 g/mol
LogP3.46
Rot. Bonds4

About 3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine

3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 105142670) has the molecular formula C11H14F3NS and a molecular weight of 249.30 g/mol. Its IUPAC name is 3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID105142670
Molecular FormulaC11H14F3NS
Molecular Weight249.30 g/mol
Exact Mass249.08
IUPAC Name3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
SMILESCSCCC(N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H14F3NS/c1-16-7-6-10(15)8-2-4-9(5-3-8)11(12,13)14/h2-5,10H,6-7,15H2,1H3
InChIKeySQPMLFRHEPWRIP-UHFFFAOYSA-N
XLogP3.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 94603340
(1R)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 94603339
[3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine
CID 105302324
1-(4-methylphenyl)-3-methylsulfanylpropan-1-amine
CID 105092577
3-methoxy-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 62790379
3-methylsulfanyl-1-(4-methylsulfanylphenyl)propan-1-amine
CID 116831551
(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 130899133
(1S)-1-[4-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 171218575
(1R)-1-[4-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
CID 171199061
1-(4-ethylsulfanylphenyl)-3-methylsulfanylpropan-1-amine
CID 116831553
3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol
CID 170875067
2-tert-butylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 65132708

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of 3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine (CID 105142670) is 3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for 3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for 3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine is CSCCC(N)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is SQPMLFRHEPWRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NS/c1-16-7-6-10(15)8-2-4-9(5-3-8)11(12,13)14/h2-5,10H,6-7,15H2,1H3.
What are the key properties of 3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine?
3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 249.30 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 105142670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).