2-(2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine

C15H17BrN2S — CID 24693860

IUPAC2-(2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine
SMILESNCC(c1ccccc1Br)N1CCc2sccc2C1
InChIInChI=1S/C15H17BrN2S/c16-13-4-2-1-3-12(13)14(9-17)18-7-5-15-11(10-18)6-8-19-15/h1-4,6,8,14H,5,7,9-10,17H2
InChIKeyYNFZQSDATDYGSM-UHFFFAOYSA-N
MW337.29 g/mol
LogP3.57
Rot. Bonds3

About 2-(2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine

2-(2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine (PubChem CID 24693860) has the molecular formula C15H17BrN2S and a molecular weight of 337.29 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine
PubChem CID24693860
Molecular FormulaC15H17BrN2S
Molecular Weight337.29 g/mol
Exact Mass336.03
IUPAC Name2-(2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine
SMILESNCC(c1ccccc1Br)N1CCc2sccc2C1
InChIInChI=1S/C15H17BrN2S/c16-13-4-2-1-3-12(13)14(9-17)18-7-5-15-11(10-18)6-8-19-15/h1-4,6,8,14H,5,7,9-10,17H2
InChIKeyYNFZQSDATDYGSM-UHFFFAOYSA-N
XLogP3.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzofuran-2-yl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine
CID 63898076
4-(2-chlorophenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-ol
CID 56971148
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylbutan-1-amine
CID 79413918
5-[(1S)-1-(2-chlorophenyl)-2-methylperoxyethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 88573353
5-[(1R)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 59078186
5-(1-phenylbut-3-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 132530725
2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]acetamide
CID 119853305
4-[2-amino-1-(2-bromophenyl)ethyl]piperazine-2,6-dione
CID 66084652
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-propylimidazol-4-yl)ethanamine
CID 66131795
methyl (3R)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(2-methylphenyl)propanoate
CID 70962564
1-[2-amino-1-(2-bromophenyl)ethyl]-3-methylpyrrolidin-3-ol
CID 103355424
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-methoxypropan-1-amine
CID 103225266

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine (CID 24693860) is 2-(2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine is NCC(c1ccccc1Br)N1CCc2sccc2C1.
What is the InChIKey of 2-(2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine?
The InChIKey is YNFZQSDATDYGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2S/c16-13-4-2-1-3-12(13)14(9-17)18-7-5-15-11(10-18)6-8-19-15/h1-4,6,8,14H,5,7,9-10,17H2.
What are the key properties of 2-(2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine?
2-(2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine has a molecular weight of 337.29 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine is sourced from PubChem (CID 24693860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).