1-(5-bromo-4-methylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine

C15H20BrNS2 — CID 115860725

IUPAC1-(5-bromo-4-methylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
SMILESCCCNC(CCc1cccs1)c1cc(C)c(Br)s1
InChIInChI=1S/C15H20BrNS2/c1-3-8-17-13(7-6-12-5-4-9-18-12)14-10-11(2)15(16)19-14/h4-5,9-10,13,17H,3,6-8H2,1-2H3
InChIKeyLHJSWLQXNVMTML-UHFFFAOYSA-N
MW358.37 g/mol
LogP5.55
Rot. Bonds7

About 1-(5-bromo-4-methylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine

1-(5-bromo-4-methylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 115860725) has the molecular formula C15H20BrNS2 and a molecular weight of 358.37 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
PubChem CID115860725
Molecular FormulaC15H20BrNS2
Molecular Weight358.37 g/mol
Exact Mass357.02
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
SMILESCCCNC(CCc1cccs1)c1cc(C)c(Br)s1
InChIInChI=1S/C15H20BrNS2/c1-3-8-17-13(7-6-12-5-4-9-18-12)14-10-11(2)15(16)19-14/h4-5,9-10,13,17H,3,6-8H2,1-2H3
InChIKeyLHJSWLQXNVMTML-UHFFFAOYSA-N
XLogP5.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.37
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dimethylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860668
1-(5-bromo-4-methylthiophen-2-yl)-N-propylbutan-1-amine
CID 79991988
1-(3-bromophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 63774616
1-(3-chloro-4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860699
1-(5-bromo-2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860952
1-(5-bromo-4-methylthiophen-2-yl)-3-methyl-N-propylpentan-1-amine
CID 114874529
1-(2,4-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 105145207
1-(4-iodophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115861151
1-(6-methyl-2-pyridinyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 63773530
1-(2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 63775444
1-(4,5-dibromothiophen-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 115793519
1,1-dimethoxy-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 79493483

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine (CID 115860725) is 1-(5-bromo-4-methylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine is CCCNC(CCc1cccs1)c1cc(C)c(Br)s1.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is LHJSWLQXNVMTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNS2/c1-3-8-17-13(7-6-12-5-4-9-18-12)14-10-11(2)15(16)19-14/h4-5,9-10,13,17H,3,6-8H2,1-2H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
1-(5-bromo-4-methylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 358.37 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 115860725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).