N,2-dimethyl-3-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine

C12H17F3N2S — CID 114222081

IUPACN,2-dimethyl-3-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
SMILESCNC(c1cnccc1C(F)(F)F)C(C)CSC
InChIInChI=1S/C12H17F3N2S/c1-8(7-18-3)11(16-2)9-6-17-5-4-10(9)12(13,14)15/h4-6,8,11,16H,7H2,1-3H3
InChIKeyYJGGUUYHZIKWPO-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.36
Rot. Bonds5

About N,2-dimethyl-3-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine

N,2-dimethyl-3-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine (PubChem CID 114222081) has the molecular formula C12H17F3N2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N,2-dimethyl-3-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-3-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
PubChem CID114222081
Molecular FormulaC12H17F3N2S
Molecular Weight278.34 g/mol
Exact Mass278.11
IUPAC NameN,2-dimethyl-3-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
SMILESCNC(c1cnccc1C(F)(F)F)C(C)CSC
InChIInChI=1S/C12H17F3N2S/c1-8(7-18-3)11(16-2)9-6-17-5-4-10(9)12(13,14)15/h4-6,8,11,16H,7H2,1-3H3
InChIKeyYJGGUUYHZIKWPO-UHFFFAOYSA-N
XLogP3.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 103517276
N-methyl-2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102710024
[2-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]hydrazine
CID 102710309
2,2,2-trifluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102709994
N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708033
N,3,4,4-tetramethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-amine
CID 102710096
N-methyl-2-phenylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102708230
[2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]hexyl]hydrazine
CID 114247323
[3-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]propyl]hydrazine
CID 102710527
N-ethyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102708349
[2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]propyl]hydrazine
CID 102710327
[2-ethoxy-3-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butyl]hydrazine
CID 102710430

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine?
The IUPAC name of N,2-dimethyl-3-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine (CID 114222081) is N,2-dimethyl-3-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine.
What is the SMILES notation for N,2-dimethyl-3-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine?
The canonical SMILES for N,2-dimethyl-3-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine is CNC(c1cnccc1C(F)(F)F)C(C)CSC.
What is the InChIKey of N,2-dimethyl-3-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine?
The InChIKey is YJGGUUYHZIKWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2S/c1-8(7-18-3)11(16-2)9-6-17-5-4-10(9)12(13,14)15/h4-6,8,11,16H,7H2,1-3H3.
What are the key properties of N,2-dimethyl-3-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine?
N,2-dimethyl-3-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine has a molecular weight of 278.34 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine is sourced from PubChem (CID 114222081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).