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

C16H18BrClN2S — CID 82775888

IUPAC1-(4-bromo-2-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-amine
SMILESNC(CCN1CCc2sccc2C1)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H18BrClN2S/c17-12-1-2-13(14(18)9-12)15(19)3-6-20-7-4-16-11(10-20)5-8-21-16/h1-2,5,8-9,15H,3-4,6-7,10,19H2
InChIKeyBSCKMCWNUWRFOF-UHFFFAOYSA-N
MW385.76 g/mol
LogP4.61
Rot. Bonds4

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

1-(4-bromo-2-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-amine (PubChem CID 82775888) has the molecular formula C16H18BrClN2S and a molecular weight of 385.76 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-amine
PubChem CID82775888
Molecular FormulaC16H18BrClN2S
Molecular Weight385.76 g/mol
Exact Mass384.01
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-amine
SMILESNC(CCN1CCc2sccc2C1)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H18BrClN2S/c17-12-1-2-13(14(18)9-12)15(19)3-6-20-7-4-16-11(10-20)5-8-21-16/h1-2,5,8-9,15H,3-4,6-7,10,19H2
InChIKeyBSCKMCWNUWRFOF-UHFFFAOYSA-N
XLogP4.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.76
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 82777403
1-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103502648
1-(4-bromo-2-chlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine
CID 82780236
1-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]-4-methylpiperidin-3-ol
CID 102967113
1-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]piperidin-3-ol
CID 82779683
6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)hexan-2-amine
CID 82853174
1-(3-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-ol
CID 62624190
2,6-dichloro-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)aniline
CID 82832751
1-(4-bromo-2-chlorophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 82780475
1-(4-bromo-2-chlorophenyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 82780041
1-(3-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine
CID 62619056
1-(4-bromo-2-chlorophenyl)-3-(3-ethylmorpholin-4-yl)propan-1-amine
CID 82779969

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-amine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-amine (CID 82775888) is 1-(4-bromo-2-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-amine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-amine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-amine is NC(CCN1CCc2sccc2C1)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-amine?
The InChIKey is BSCKMCWNUWRFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrClN2S/c17-12-1-2-13(14(18)9-12)15(19)3-6-20-7-4-16-11(10-20)5-8-21-16/h1-2,5,8-9,15H,3-4,6-7,10,19H2.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-amine?
1-(4-bromo-2-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-amine has a molecular weight of 385.76 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-amine is sourced from PubChem (CID 82775888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).