1-(3-chloro-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine

C15H19ClN2S — CID 103444845

IUPAC1-(3-chloro-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
SMILESCCCNC(CCc1ccsc1)c1ncccc1Cl
InChIInChI=1S/C15H19ClN2S/c1-2-8-17-14(6-5-12-7-10-19-11-12)15-13(16)4-3-9-18-15/h3-4,7,9-11,14,17H,2,5-6,8H2,1H3
InChIKeyODFHPLJMQVQIDQ-UHFFFAOYSA-N
MW294.85 g/mol
LogP4.47
Rot. Bonds7

About 1-(3-chloro-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine

1-(3-chloro-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine (PubChem CID 103444845) has the molecular formula C15H19ClN2S and a molecular weight of 294.85 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
PubChem CID103444845
Molecular FormulaC15H19ClN2S
Molecular Weight294.85 g/mol
Exact Mass294.10
IUPAC Name1-(3-chloro-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
SMILESCCCNC(CCc1ccsc1)c1ncccc1Cl
InChIInChI=1S/C15H19ClN2S/c1-2-8-17-14(6-5-12-7-10-19-11-12)15-13(16)4-3-9-18-15/h3-4,7,9-11,14,17H,2,5-6,8H2,1H3
InChIKeyODFHPLJMQVQIDQ-UHFFFAOYSA-N
XLogP4.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.85
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-pyridinyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 103444550
1-(3-ethyl-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 82741172
1-(3-chloro-2-pyridinyl)-N-propylbutan-1-amine
CID 103444817
1-(3,4-dichlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 81491853
1-(3-chloro-2-pyridinyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 103444761
1-(3-chloro-4-iodophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 103215285
1-(5-fluoro-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 79713195
1-(2-methyl-1,3-thiazol-4-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 105147754
N-propyl-1-(4-propylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine
CID 105147880
N-[2-(3-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethyl]propan-1-amine
CID 103444831
1-(3-bromo-5-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 107945833
N-propyl-3-thiophen-3-yl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 115857109

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine (CID 103444845) is 1-(3-chloro-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine is CCCNC(CCc1ccsc1)c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine?
The InChIKey is ODFHPLJMQVQIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2S/c1-2-8-17-14(6-5-12-7-10-19-11-12)15-13(16)4-3-9-18-15/h3-4,7,9-11,14,17H,2,5-6,8H2,1H3.
What are the key properties of 1-(3-chloro-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine?
1-(3-chloro-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine has a molecular weight of 294.85 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 103444845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).