2-(4-bromothiophen-3-yl)-1-(methylamino)propan-2-ol

C8H12BrNOS — CID 79601390

IUPAC2-(4-bromothiophen-3-yl)-1-(methylamino)propan-2-ol
SMILESCNCC(C)(O)c1cscc1Br
InChIInChI=1S/C8H12BrNOS/c1-8(11,5-10-2)6-3-12-4-7(6)9/h3-4,10-11H,5H2,1-2H3
InChIKeyZBUUJVPYIIWXAJ-UHFFFAOYSA-N
MW250.16 g/mol
LogP1.94
Rot. Bonds3

About 2-(4-bromothiophen-3-yl)-1-(methylamino)propan-2-ol

2-(4-bromothiophen-3-yl)-1-(methylamino)propan-2-ol (PubChem CID 79601390) has the molecular formula C8H12BrNOS and a molecular weight of 250.16 g/mol. Its IUPAC name is 2-(4-bromothiophen-3-yl)-1-(methylamino)propan-2-ol.

Molecular Properties

Compound Name2-(4-bromothiophen-3-yl)-1-(methylamino)propan-2-ol
PubChem CID79601390
Molecular FormulaC8H12BrNOS
Molecular Weight250.16 g/mol
Exact Mass248.98
IUPAC Name2-(4-bromothiophen-3-yl)-1-(methylamino)propan-2-ol
SMILESCNCC(C)(O)c1cscc1Br
InChIInChI=1S/C8H12BrNOS/c1-8(11,5-10-2)6-3-12-4-7(6)9/h3-4,10-11H,5H2,1-2H3
InChIKeyZBUUJVPYIIWXAJ-UHFFFAOYSA-N
XLogP1.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.16
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-3-yl)-1-(methylamino)propan-2-ol?
The IUPAC name of 2-(4-bromothiophen-3-yl)-1-(methylamino)propan-2-ol (CID 79601390) is 2-(4-bromothiophen-3-yl)-1-(methylamino)propan-2-ol.
What is the SMILES notation for 2-(4-bromothiophen-3-yl)-1-(methylamino)propan-2-ol?
The canonical SMILES for 2-(4-bromothiophen-3-yl)-1-(methylamino)propan-2-ol is CNCC(C)(O)c1cscc1Br.
What is the InChIKey of 2-(4-bromothiophen-3-yl)-1-(methylamino)propan-2-ol?
The InChIKey is ZBUUJVPYIIWXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNOS/c1-8(11,5-10-2)6-3-12-4-7(6)9/h3-4,10-11H,5H2,1-2H3.
What are the key properties of 2-(4-bromothiophen-3-yl)-1-(methylamino)propan-2-ol?
2-(4-bromothiophen-3-yl)-1-(methylamino)propan-2-ol has a molecular weight of 250.16 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-3-yl)-1-(methylamino)propan-2-ol is sourced from PubChem (CID 79601390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).