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

C13H13BrClNS — CID 114027060

IUPAC1-(2-bromo-5-chlorophenyl)-3-thiophen-3-ylpropan-1-amine
SMILESNC(CCc1ccsc1)c1cc(Cl)ccc1Br
InChIInChI=1S/C13H13BrClNS/c14-12-3-2-10(15)7-11(12)13(16)4-1-9-5-6-17-8-9/h2-3,5-8,13H,1,4,16H2
InChIKeyIZDPGWOMJFEVFV-UHFFFAOYSA-N
MW330.68 g/mol
LogP4.80
Rot. Bonds4

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

1-(2-bromo-5-chlorophenyl)-3-thiophen-3-ylpropan-1-amine (PubChem CID 114027060) has the molecular formula C13H13BrClNS and a molecular weight of 330.68 g/mol. Its IUPAC name is 1-(2-bromo-5-chlorophenyl)-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-5-chlorophenyl)-3-thiophen-3-ylpropan-1-amine
PubChem CID114027060
Molecular FormulaC13H13BrClNS
Molecular Weight330.68 g/mol
Exact Mass328.96
IUPAC Name1-(2-bromo-5-chlorophenyl)-3-thiophen-3-ylpropan-1-amine
SMILESNC(CCc1ccsc1)c1cc(Cl)ccc1Br
InChIInChI=1S/C13H13BrClNS/c14-12-3-2-10(15)7-11(12)13(16)4-1-9-5-6-17-8-9/h2-3,5-8,13H,1,4,16H2
InChIKeyIZDPGWOMJFEVFV-UHFFFAOYSA-N
XLogP4.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.68
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-3-thiophen-3-ylpropan-1-amine
CID 115857028
(1S)-1-(2-bromo-5-chlorophenyl)propane-1,3-diamine;hydrochloride
CID 171223288
1-(3-bromo-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine
CID 115857115
1-(2-bromo-4-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 107993221
(4S)-4-amino-4-(2-bromo-5-chlorophenyl)butan-1-ol;hydrochloride
CID 171223329
[1-(2,5-dichlorophenyl)-3-thiophen-3-ylpropyl]hydrazine
CID 105306748
1-(5-chlorofuran-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 106692043
1-(3-chloro-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine
CID 107102339
1-(2-bromo-5-chlorophenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 114027019
1-(5-chloro-2-methylphenyl)-2-thiophen-3-ylethanamine
CID 82883386
(2S)-2-amino-2-(2-bromo-5-chlorophenyl)ethanol;hydrochloride
CID 171203752
1-(4-chloro-2-fluorophenyl)-2-thiophen-3-ylethanamine
CID 61078640

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chlorophenyl)-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 1-(2-bromo-5-chlorophenyl)-3-thiophen-3-ylpropan-1-amine (CID 114027060) is 1-(2-bromo-5-chlorophenyl)-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 1-(2-bromo-5-chlorophenyl)-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 1-(2-bromo-5-chlorophenyl)-3-thiophen-3-ylpropan-1-amine is NC(CCc1ccsc1)c1cc(Cl)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-chlorophenyl)-3-thiophen-3-ylpropan-1-amine?
The InChIKey is IZDPGWOMJFEVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNS/c14-12-3-2-10(15)7-11(12)13(16)4-1-9-5-6-17-8-9/h2-3,5-8,13H,1,4,16H2.
What are the key properties of 1-(2-bromo-5-chlorophenyl)-3-thiophen-3-ylpropan-1-amine?
1-(2-bromo-5-chlorophenyl)-3-thiophen-3-ylpropan-1-amine has a molecular weight of 330.68 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chlorophenyl)-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 114027060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).