N-(1-thieno[3,2-b]pyridin-3-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine

C19H19F3N2S — CID 68817803

IUPACN-(1-thieno[3,2-b]pyridin-3-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
SMILESCC(NCCCc1cccc(C(F)(F)F)c1)c1csc2cccnc12
InChIInChI=1S/C19H19F3N2S/c1-13(16-12-25-17-8-4-10-24-18(16)17)23-9-3-6-14-5-2-7-15(11-14)19(20,21)22/h2,4-5,7-8,10-13,23H,3,6,9H2,1H3
InChIKeyBYCDGEMSGITOQP-UHFFFAOYSA-N
MW364.44 g/mol
LogP5.60
Rot. Bonds6

About N-(1-thieno[3,2-b]pyridin-3-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine

N-(1-thieno[3,2-b]pyridin-3-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 68817803) has the molecular formula C19H19F3N2S and a molecular weight of 364.44 g/mol. Its IUPAC name is N-(1-thieno[3,2-b]pyridin-3-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-(1-thieno[3,2-b]pyridin-3-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID68817803
Molecular FormulaC19H19F3N2S
Molecular Weight364.44 g/mol
Exact Mass364.12
IUPAC NameN-(1-thieno[3,2-b]pyridin-3-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
SMILESCC(NCCCc1cccc(C(F)(F)F)c1)c1csc2cccnc12
InChIInChI=1S/C19H19F3N2S/c1-13(16-12-25-17-8-4-10-24-18(16)17)23-9-3-6-14-5-2-7-15(11-14)19(20,21)22/h2,4-5,7-8,10-13,23H,3,6,9H2,1H3
InChIKeyBYCDGEMSGITOQP-UHFFFAOYSA-N
XLogP5.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.44
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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US11168093, Example 1
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Frequently Asked Questions

What is the IUPAC name of N-(1-thieno[3,2-b]pyridin-3-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of N-(1-thieno[3,2-b]pyridin-3-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine (CID 68817803) is N-(1-thieno[3,2-b]pyridin-3-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for N-(1-thieno[3,2-b]pyridin-3-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for N-(1-thieno[3,2-b]pyridin-3-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine is CC(NCCCc1cccc(C(F)(F)F)c1)c1csc2cccnc12.
What is the InChIKey of N-(1-thieno[3,2-b]pyridin-3-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is BYCDGEMSGITOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2S/c1-13(16-12-25-17-8-4-10-24-18(16)17)23-9-3-6-14-5-2-7-15(11-14)19(20,21)22/h2,4-5,7-8,10-13,23H,3,6,9H2,1H3.
What are the key properties of N-(1-thieno[3,2-b]pyridin-3-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine?
N-(1-thieno[3,2-b]pyridin-3-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 364.44 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thieno[3,2-b]pyridin-3-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 68817803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).