1-(5-bromothiophen-2-yl)propan-1-amine

C7H10BrNS — CID 60710115

IUPAC1-(5-bromothiophen-2-yl)propan-1-amine
SMILESCCC(N)c1ccc(Br)s1
InChIInChI=1S/C7H10BrNS/c1-2-5(9)6-3-4-7(8)10-6/h3-5H,2,9H2,1H3
InChIKeySUWSPBPVGPGSOS-UHFFFAOYSA-N
MW220.14 g/mol
LogP2.92
Rot. Bonds2

About 1-(5-bromothiophen-2-yl)propan-1-amine

1-(5-bromothiophen-2-yl)propan-1-amine (PubChem CID 60710115) has the molecular formula C7H10BrNS and a molecular weight of 220.14 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)propan-1-amine
PubChem CID60710115
Molecular FormulaC7H10BrNS
Molecular Weight220.14 g/mol
Exact Mass218.97
IUPAC Name1-(5-bromothiophen-2-yl)propan-1-amine
SMILESCCC(N)c1ccc(Br)s1
InChIInChI=1S/C7H10BrNS/c1-2-5(9)6-3-4-7(8)10-6/h3-5H,2,9H2,1H3
InChIKeySUWSPBPVGPGSOS-UHFFFAOYSA-N
XLogP2.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.14
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)propan-1-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)propan-1-amine (CID 60710115) is 1-(5-bromothiophen-2-yl)propan-1-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)propan-1-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)propan-1-amine is CCC(N)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)propan-1-amine?
The InChIKey is SUWSPBPVGPGSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNS/c1-2-5(9)6-3-4-7(8)10-6/h3-5H,2,9H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)propan-1-amine?
1-(5-bromothiophen-2-yl)propan-1-amine has a molecular weight of 220.14 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)propan-1-amine is sourced from PubChem (CID 60710115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).