1-(5-bromo-2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine

C16H19BrClNS — CID 115860952

IUPAC1-(5-bromo-2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
SMILESCCCNC(CCc1cccs1)c1cc(Br)ccc1Cl
InChIInChI=1S/C16H19BrClNS/c1-2-9-19-16(8-6-13-4-3-10-20-13)14-11-12(17)5-7-15(14)18/h3-5,7,10-11,16,19H,2,6,8-9H2,1H3
InChIKeyNHFFLSKDCLWYMO-UHFFFAOYSA-N
MW372.76 g/mol
LogP5.84
Rot. Bonds7

About 1-(5-bromo-2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine

1-(5-bromo-2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 115860952) has the molecular formula C16H19BrClNS and a molecular weight of 372.76 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
PubChem CID115860952
Molecular FormulaC16H19BrClNS
Molecular Weight372.76 g/mol
Exact Mass371.01
IUPAC Name1-(5-bromo-2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
SMILESCCCNC(CCc1cccs1)c1cc(Br)ccc1Cl
InChIInChI=1S/C16H19BrClNS/c1-2-9-19-16(8-6-13-4-3-10-20-13)14-11-12(17)5-7-15(14)18/h3-5,7,10-11,16,19H,2,6,8-9H2,1H3
InChIKeyNHFFLSKDCLWYMO-UHFFFAOYSA-N
XLogP5.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.76
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-bromo-2-chlorophenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 63527737
1-(2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 63775444
1-(3-bromophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 63774616
1-(4-chloro-2,5-difluorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115861199
1-(2,5-dibromophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115861015
1-(3-chloro-4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860699
N-[1-(2,4-dibromophenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 107945447
1-(5-bromo-4-methylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860725
1-(2,5-dibromophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 115861201
1-(1-benzothiophen-3-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860702
1-(2,4-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860970
1-(4,5-dimethylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860668

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine (CID 115860952) is 1-(5-bromo-2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine is CCCNC(CCc1cccs1)c1cc(Br)ccc1Cl.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is NHFFLSKDCLWYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrClNS/c1-2-9-19-16(8-6-13-4-3-10-20-13)14-11-12(17)5-7-15(14)18/h3-5,7,10-11,16,19H,2,6,8-9H2,1H3.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
1-(5-bromo-2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 372.76 g/mol, XLogP of 5.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 115860952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).