[3-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)phenyl]methanamine

C15H17BrN2S — CID 102768916

IUPAC[3-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)phenyl]methanamine
SMILESNCc1ccc(CN2CCc3sccc3C2)c(Br)c1
InChIInChI=1S/C15H17BrN2S/c16-14-7-11(8-17)1-2-12(14)9-18-5-3-15-13(10-18)4-6-19-15/h1-2,4,6-7H,3,5,8-10,17H2
InChIKeyYQOHRJPDXYIVAK-UHFFFAOYSA-N
MW337.29 g/mol
LogP3.53
Rot. Bonds3

About [3-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)phenyl]methanamine

[3-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)phenyl]methanamine (PubChem CID 102768916) has the molecular formula C15H17BrN2S and a molecular weight of 337.29 g/mol. Its IUPAC name is [3-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)phenyl]methanamine
PubChem CID102768916
Molecular FormulaC15H17BrN2S
Molecular Weight337.29 g/mol
Exact Mass336.03
IUPAC Name[3-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)phenyl]methanamine
SMILESNCc1ccc(CN2CCc3sccc3C2)c(Br)c1
InChIInChI=1S/C15H17BrN2S/c16-14-7-11(8-17)1-2-12(14)9-18-5-3-15-13(10-18)4-6-19-15/h1-2,4,6-7H,3,5,8-10,17H2
InChIKeyYQOHRJPDXYIVAK-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)phenyl]methyl]ethanamine
CID 102768913
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-fluorophenyl]methanamine
CID 63288847
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluoroaniline
CID 64767664
[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-pyridinyl]methanamine
CID 63887644
2,6-dichloro-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)aniline
CID 82832751
5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 3042998
5-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 3041286
3-amino-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)benzamide
CID 43375509
5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;chloride
CID 657310
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-iodoaniline
CID 112750992
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluorobenzenecarbothioamide
CID 29273112
5-[(3,5-dimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 3041283

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)phenyl]methanamine?
The IUPAC name of [3-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)phenyl]methanamine (CID 102768916) is [3-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)phenyl]methanamine.
What is the SMILES notation for [3-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)phenyl]methanamine?
The canonical SMILES for [3-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)phenyl]methanamine is NCc1ccc(CN2CCc3sccc3C2)c(Br)c1.
What is the InChIKey of [3-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)phenyl]methanamine?
The InChIKey is YQOHRJPDXYIVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2S/c16-14-7-11(8-17)1-2-12(14)9-18-5-3-15-13(10-18)4-6-19-15/h1-2,4,6-7H,3,5,8-10,17H2.
What are the key properties of [3-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)phenyl]methanamine?
[3-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)phenyl]methanamine has a molecular weight of 337.29 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 102768916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).