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

C15H17Br2NS — CID 115861015

IUPAC1-(2,5-dibromophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
SMILESCCNC(CCc1cccs1)c1cc(Br)ccc1Br
InChIInChI=1S/C15H17Br2NS/c1-2-18-15(8-6-12-4-3-9-19-12)13-10-11(16)5-7-14(13)17/h3-5,7,9-10,15,18H,2,6,8H2,1H3
InChIKeyDHFARCRZKWVCPG-UHFFFAOYSA-N
MW403.18 g/mol
LogP5.56
Rot. Bonds6

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

1-(2,5-dibromophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 115861015) has the molecular formula C15H17Br2NS and a molecular weight of 403.18 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
PubChem CID115861015
Molecular FormulaC15H17Br2NS
Molecular Weight403.18 g/mol
Exact Mass400.94
IUPAC Name1-(2,5-dibromophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
SMILESCCNC(CCc1cccs1)c1cc(Br)ccc1Br
InChIInChI=1S/C15H17Br2NS/c1-2-18-15(8-6-12-4-3-9-19-12)13-10-11(16)5-7-14(13)17/h3-5,7,9-10,15,18H,2,6,8H2,1H3
InChIKeyDHFARCRZKWVCPG-UHFFFAOYSA-N
XLogP5.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.18
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860919
1-(2,5-dibromophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 115861201
1-(5-bromo-2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860952
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 107968303
1-(2,4-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860970
N-ethyl-1-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine
CID 63776349
N-ethyl-1-(3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine
CID 63775928
N-ethyl-3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 115860753
1-(2,5-dibromophenyl)-N-ethylhex-4-yn-1-amine
CID 105037425
1-(3,5-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860979
1-(3-bromophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 63774616
N-ethyl-3-thiophen-2-yl-1-thiophen-3-ylpropan-1-amine
CID 63773695

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-(2,5-dibromophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine (CID 115861015) is 1-(2,5-dibromophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-(2,5-dibromophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-(2,5-dibromophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine is CCNC(CCc1cccs1)c1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is DHFARCRZKWVCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2NS/c1-2-18-15(8-6-12-4-3-9-19-12)13-10-11(16)5-7-14(13)17/h3-5,7,9-10,15,18H,2,6,8H2,1H3.
What are the key properties of 1-(2,5-dibromophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine?
1-(2,5-dibromophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 403.18 g/mol, XLogP of 5.56, 6 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-ethyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 115861015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).