1-(2,5-dibromophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine

C14H15Br2NS — CID 115861201

IUPAC1-(2,5-dibromophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
SMILESCNC(CCc1cccs1)c1cc(Br)ccc1Br
InChIInChI=1S/C14H15Br2NS/c1-17-14(7-5-11-3-2-8-18-11)12-9-10(15)4-6-13(12)16/h2-4,6,8-9,14,17H,5,7H2,1H3
InChIKeySGSKLQKQIYXYFU-UHFFFAOYSA-N
MW389.16 g/mol
LogP5.17
Rot. Bonds5

About 1-(2,5-dibromophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine

1-(2,5-dibromophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 115861201) has the molecular formula C14H15Br2NS and a molecular weight of 389.16 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
PubChem CID115861201
Molecular FormulaC14H15Br2NS
Molecular Weight389.16 g/mol
Exact Mass386.93
IUPAC Name1-(2,5-dibromophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
SMILESCNC(CCc1cccs1)c1cc(Br)ccc1Br
InChIInChI=1S/C14H15Br2NS/c1-17-14(7-5-11-3-2-8-18-11)12-9-10(15)4-6-13(12)16/h2-4,6,8-9,14,17H,5,7H2,1H3
InChIKeySGSKLQKQIYXYFU-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.16
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dibromophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115861015
1-(3-bromo-2-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 107952963
1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860919
1-(7-bromo-1-benzofuran-2-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 105150403
1-(2-bromo-5-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine
CID 81112647
1-(5-bromo-2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860952
1-(2,5-dibromophenyl)-N-methylpent-4-yn-1-amine
CID 115859658
2-(4-bromothiophen-2-yl)-1-(2,5-dibromophenyl)-N-methylethanamine
CID 115848058
1-(2,5-dibromophenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43482198
1-(2-methoxy-5-methylphenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 115860856
2-[2-chloro-2-(2,5-dibromophenyl)ethyl]thiophene
CID 114375554
(2R)-2-(2,5-dibromophenyl)-2-(methylamino)ethanol
CID 131062673

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-(2,5-dibromophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine (CID 115861201) is 1-(2,5-dibromophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-(2,5-dibromophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-(2,5-dibromophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine is CNC(CCc1cccs1)c1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is SGSKLQKQIYXYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NS/c1-17-14(7-5-11-3-2-8-18-11)12-9-10(15)4-6-13(12)16/h2-4,6,8-9,14,17H,5,7H2,1H3.
What are the key properties of 1-(2,5-dibromophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine?
1-(2,5-dibromophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 389.16 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 115861201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).