N-[(6-bromo-2-pyridinyl)methyl]-1-thiophen-3-ylpropan-2-amine

C13H15BrN2S — CID 112582241

IUPACN-[(6-bromo-2-pyridinyl)methyl]-1-thiophen-3-ylpropan-2-amine
SMILESCC(Cc1ccsc1)NCc1cccc(Br)n1
InChIInChI=1S/C13H15BrN2S/c1-10(7-11-5-6-17-9-11)15-8-12-3-2-4-13(14)16-12/h2-6,9-10,15H,7-8H2,1H3
InChIKeyZSSDVPLZWKUUFT-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.63
Rot. Bonds5

About N-[(6-bromo-2-pyridinyl)methyl]-1-thiophen-3-ylpropan-2-amine

N-[(6-bromo-2-pyridinyl)methyl]-1-thiophen-3-ylpropan-2-amine (PubChem CID 112582241) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is N-[(6-bromo-2-pyridinyl)methyl]-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(6-bromo-2-pyridinyl)methyl]-1-thiophen-3-ylpropan-2-amine
PubChem CID112582241
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC NameN-[(6-bromo-2-pyridinyl)methyl]-1-thiophen-3-ylpropan-2-amine
SMILESCC(Cc1ccsc1)NCc1cccc(Br)n1
InChIInChI=1S/C13H15BrN2S/c1-10(7-11-5-6-17-9-11)15-8-12-3-2-4-13(14)16-12/h2-6,9-10,15H,7-8H2,1H3
InChIKeyZSSDVPLZWKUUFT-UHFFFAOYSA-N
XLogP3.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(6-bromo-2-pyridinyl)methyl]-4-methylpentan-2-amine
CID 112581921
6-bromo-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
CID 103889839
N-(1,2-oxazol-3-ylmethyl)-1-thiophen-3-ylpropan-2-amine
CID 115726363
N-(quinolin-8-ylmethyl)-1-thiophen-3-ylpropan-2-amine
CID 61222089
N-[(6-bromo-2-pyridinyl)methyl]hexan-2-amine
CID 112582303
1-thiophen-3-yl-N-(thiophen-2-ylmethyl)propan-2-amine
CID 61222092
N-[(3-chlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61222821
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 64539318
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61224119
N-[(5-phenylthiophen-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 63453731
N-[(1-methylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 63001491
N-[(2-bromo-4-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 54953234

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-1-thiophen-3-ylpropan-2-amine (CID 112582241) is N-[(6-bromo-2-pyridinyl)methyl]-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for N-[(6-bromo-2-pyridinyl)methyl]-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for N-[(6-bromo-2-pyridinyl)methyl]-1-thiophen-3-ylpropan-2-amine is CC(Cc1ccsc1)NCc1cccc(Br)n1.
What is the InChIKey of N-[(6-bromo-2-pyridinyl)methyl]-1-thiophen-3-ylpropan-2-amine?
The InChIKey is ZSSDVPLZWKUUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-10(7-11-5-6-17-9-11)15-8-12-3-2-4-13(14)16-12/h2-6,9-10,15H,7-8H2,1H3.
What are the key properties of N-[(6-bromo-2-pyridinyl)methyl]-1-thiophen-3-ylpropan-2-amine?
N-[(6-bromo-2-pyridinyl)methyl]-1-thiophen-3-ylpropan-2-amine has a molecular weight of 311.25 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-2-pyridinyl)methyl]-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 112582241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).