2-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-1-amine

C13H13BrClNS — CID 79449009

IUPAC2-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-1-amine
SMILESNCC(Cc1ccc(Cl)s1)c1ccccc1Br
InChIInChI=1S/C13H13BrClNS/c14-12-4-2-1-3-11(12)9(8-16)7-10-5-6-13(15)17-10/h1-6,9H,7-8,16H2
InChIKeyVKIWFDNNBSRRSR-UHFFFAOYSA-N
MW330.68 g/mol
LogP4.45
Rot. Bonds4

About 2-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-1-amine

2-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-1-amine (PubChem CID 79449009) has the molecular formula C13H13BrClNS and a molecular weight of 330.68 g/mol. Its IUPAC name is 2-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-1-amine
PubChem CID79449009
Molecular FormulaC13H13BrClNS
Molecular Weight330.68 g/mol
Exact Mass328.96
IUPAC Name2-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-1-amine
SMILESNCC(Cc1ccc(Cl)s1)c1ccccc1Br
InChIInChI=1S/C13H13BrClNS/c14-12-4-2-1-3-11(12)9(8-16)7-10-5-6-13(15)17-10/h1-6,9H,7-8,16H2
InChIKeyVKIWFDNNBSRRSR-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-1-amine?
The IUPAC name of 2-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-1-amine (CID 79449009) is 2-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-1-amine is NCC(Cc1ccc(Cl)s1)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-1-amine?
The InChIKey is VKIWFDNNBSRRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNS/c14-12-4-2-1-3-11(12)9(8-16)7-10-5-6-13(15)17-10/h1-6,9H,7-8,16H2.
What are the key properties of 2-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-1-amine?
2-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-1-amine has a molecular weight of 330.68 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-1-amine is sourced from PubChem (CID 79449009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).