1-(3-bromo-5-methylthiophen-2-yl)-N-propylpropan-1-amine

C11H18BrNS — CID 65278886

IUPAC1-(3-bromo-5-methylthiophen-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1sc(C)cc1Br
InChIInChI=1S/C11H18BrNS/c1-4-6-13-10(5-2)11-9(12)7-8(3)14-11/h7,10,13H,4-6H2,1-3H3
InChIKeySYWGVUVNOMOGNV-UHFFFAOYSA-N
MW276.24 g/mol
LogP4.27
Rot. Bonds5

About 1-(3-bromo-5-methylthiophen-2-yl)-N-propylpropan-1-amine

1-(3-bromo-5-methylthiophen-2-yl)-N-propylpropan-1-amine (PubChem CID 65278886) has the molecular formula C11H18BrNS and a molecular weight of 276.24 g/mol. Its IUPAC name is 1-(3-bromo-5-methylthiophen-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-5-methylthiophen-2-yl)-N-propylpropan-1-amine
PubChem CID65278886
Molecular FormulaC11H18BrNS
Molecular Weight276.24 g/mol
Exact Mass275.03
IUPAC Name1-(3-bromo-5-methylthiophen-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1sc(C)cc1Br
InChIInChI=1S/C11H18BrNS/c1-4-6-13-10(5-2)11-9(12)7-8(3)14-11/h7,10,13H,4-6H2,1-3H3
InChIKeySYWGVUVNOMOGNV-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromo-5-methylthiophen-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 65278683
N-[1-(3-bromo-5-methylthiophen-2-yl)-2,2,2-trifluoroethyl]propan-1-amine
CID 65278628
1-(3-bromo-5-methylthiophen-2-yl)-N-ethylnonan-1-amine
CID 65448785
N-[(3-bromo-5-methylthiophen-2-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
CID 107001275
N-[(3-bromo-5-methylthiophen-2-yl)-(2,3-dimethylphenyl)methyl]propan-1-amine
CID 65278365
N-[(4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 81155911
N-[(3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methyl]propan-1-amine
CID 65278364
N-[(3-bromo-5-methylthiophen-2-yl)-(2,3,4-trifluorophenyl)methyl]propan-1-amine
CID 79754639
N-[(3-bromo-5-methylthiophen-2-yl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 81477943
1-(4-bromo-3,5-dimethylphenyl)-N-propylpropan-1-amine
CID 114330802
1-(3,5-dimethylthiophen-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 81156435
1-(3-bromo-5-methylthiophen-2-yl)-N,3,3-trimethylbutan-1-amine
CID 65279617

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylthiophen-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(3-bromo-5-methylthiophen-2-yl)-N-propylpropan-1-amine (CID 65278886) is 1-(3-bromo-5-methylthiophen-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3-bromo-5-methylthiophen-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(3-bromo-5-methylthiophen-2-yl)-N-propylpropan-1-amine is CCCNC(CC)c1sc(C)cc1Br.
What is the InChIKey of 1-(3-bromo-5-methylthiophen-2-yl)-N-propylpropan-1-amine?
The InChIKey is SYWGVUVNOMOGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNS/c1-4-6-13-10(5-2)11-9(12)7-8(3)14-11/h7,10,13H,4-6H2,1-3H3.
What are the key properties of 1-(3-bromo-5-methylthiophen-2-yl)-N-propylpropan-1-amine?
1-(3-bromo-5-methylthiophen-2-yl)-N-propylpropan-1-amine has a molecular weight of 276.24 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylthiophen-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 65278886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).