1-[4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propan-2-amine

C16H19ClN2S — CID 114860254

IUPAC1-[4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(Cl)cc1N1CCc2sccc2C1
InChIInChI=1S/C16H19ClN2S/c1-11(18)8-12-2-3-14(17)9-15(12)19-6-4-16-13(10-19)5-7-20-16/h2-3,5,7,9,11H,4,6,8,10,18H2,1H3
InChIKeyHSPGOMWAYVNVEL-UHFFFAOYSA-N
MW306.86 g/mol
LogP3.85
Rot. Bonds3

About 1-[4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propan-2-amine

1-[4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propan-2-amine (PubChem CID 114860254) has the molecular formula C16H19ClN2S and a molecular weight of 306.86 g/mol. Its IUPAC name is 1-[4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propan-2-amine
PubChem CID114860254
Molecular FormulaC16H19ClN2S
Molecular Weight306.86 g/mol
Exact Mass306.10
IUPAC Name1-[4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(Cl)cc1N1CCc2sccc2C1
InChIInChI=1S/C16H19ClN2S/c1-11(18)8-12-2-3-14(17)9-15(12)19-6-4-16-13(10-19)5-7-20-16/h2-3,5,7,9,11H,4,6,8,10,18H2,1H3
InChIKeyHSPGOMWAYVNVEL-UHFFFAOYSA-N
XLogP3.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.86
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propan-2-amine with MolForge

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Related Compounds

4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline
CID 115468438
1-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]propan-2-amine
CID 114861717
4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide
CID 63083216
1-[4-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine
CID 114862200
1-[4-chloro-2-(2-ethylthiomorpholin-4-yl)phenyl]propan-2-amine
CID 114862266
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]ethanamine
CID 55237151
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methylaniline
CID 62588261
N-[[4-bromo-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methyl]propan-1-amine
CID 43280572
2-(3-chlorophenoxy)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propanamide
CID 55664221
1-[4-chloro-2-(2-ethylazepan-1-yl)phenyl]propan-2-amine
CID 114862216
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine
CID 28889917
6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)hexan-2-amine
CID 82853174

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propan-2-amine (CID 114860254) is 1-[4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propan-2-amine is CC(N)Cc1ccc(Cl)cc1N1CCc2sccc2C1.
What is the InChIKey of 1-[4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propan-2-amine?
The InChIKey is HSPGOMWAYVNVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2S/c1-11(18)8-12-2-3-14(17)9-15(12)19-6-4-16-13(10-19)5-7-20-16/h2-3,5,7,9,11H,4,6,8,10,18H2,1H3.
What are the key properties of 1-[4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propan-2-amine?
1-[4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propan-2-amine has a molecular weight of 306.86 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propan-2-amine is sourced from PubChem (CID 114860254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).