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

C13H13BrClNS — CID 62830017

IUPAC1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-2-amine
SMILESNC(Cc1ccc(Cl)s1)Cc1ccccc1Br
InChIInChI=1S/C13H13BrClNS/c14-12-4-2-1-3-9(12)7-10(16)8-11-5-6-13(15)17-11/h1-6,10H,7-8,16H2
InChIKeyDCOFECCFCLLHBE-UHFFFAOYSA-N
MW330.68 g/mol
LogP4.28
Rot. Bonds4

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

1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-2-amine (PubChem CID 62830017) has the molecular formula C13H13BrClNS and a molecular weight of 330.68 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-2-amine
PubChem CID62830017
Molecular FormulaC13H13BrClNS
Molecular Weight330.68 g/mol
Exact Mass328.96
IUPAC Name1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-2-amine
SMILESNC(Cc1ccc(Cl)s1)Cc1ccccc1Br
InChIInChI=1S/C13H13BrClNS/c14-12-4-2-1-3-9(12)7-10(16)8-11-5-6-13(15)17-11/h1-6,10H,7-8,16H2
InChIKeyDCOFECCFCLLHBE-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-2-amine (CID 62830017) is 1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-2-amine is NC(Cc1ccc(Cl)s1)Cc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-2-amine?
The InChIKey is DCOFECCFCLLHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNS/c14-12-4-2-1-3-9(12)7-10(16)8-11-5-6-13(15)17-11/h1-6,10H,7-8,16H2.
What are the key properties of 1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-2-amine?
1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-2-amine has a molecular weight of 330.68 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-2-amine is sourced from PubChem (CID 62830017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).