2-[(5-bromothiophen-3-yl)methylamino]butan-1-ol

C9H14BrNOS — CID 43647042

IUPAC2-[(5-bromothiophen-3-yl)methylamino]butan-1-ol
SMILESCCC(CO)NCc1csc(Br)c1
InChIInChI=1S/C9H14BrNOS/c1-2-8(5-12)11-4-7-3-9(10)13-6-7/h3,6,8,11-12H,2,4-5H2,1H3
InChIKeyAHFHZMVVMBQEID-UHFFFAOYSA-N
MW264.19 g/mol
LogP2.37
Rot. Bonds5

About 2-[(5-bromothiophen-3-yl)methylamino]butan-1-ol

2-[(5-bromothiophen-3-yl)methylamino]butan-1-ol (PubChem CID 43647042) has the molecular formula C9H14BrNOS and a molecular weight of 264.19 g/mol. Its IUPAC name is 2-[(5-bromothiophen-3-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name2-[(5-bromothiophen-3-yl)methylamino]butan-1-ol
PubChem CID43647042
Molecular FormulaC9H14BrNOS
Molecular Weight264.19 g/mol
Exact Mass263.00
IUPAC Name2-[(5-bromothiophen-3-yl)methylamino]butan-1-ol
SMILESCCC(CO)NCc1csc(Br)c1
InChIInChI=1S/C9H14BrNOS/c1-2-8(5-12)11-4-7-3-9(10)13-6-7/h3,6,8,11-12H,2,4-5H2,1H3
InChIKeyAHFHZMVVMBQEID-UHFFFAOYSA-N
XLogP2.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.19
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(5-bromothiophen-3-yl)methylamino]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-3-yl)methylamino]butan-1-ol?
The IUPAC name of 2-[(5-bromothiophen-3-yl)methylamino]butan-1-ol (CID 43647042) is 2-[(5-bromothiophen-3-yl)methylamino]butan-1-ol.
What is the SMILES notation for 2-[(5-bromothiophen-3-yl)methylamino]butan-1-ol?
The canonical SMILES for 2-[(5-bromothiophen-3-yl)methylamino]butan-1-ol is CCC(CO)NCc1csc(Br)c1.
What is the InChIKey of 2-[(5-bromothiophen-3-yl)methylamino]butan-1-ol?
The InChIKey is AHFHZMVVMBQEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNOS/c1-2-8(5-12)11-4-7-3-9(10)13-6-7/h3,6,8,11-12H,2,4-5H2,1H3.
What are the key properties of 2-[(5-bromothiophen-3-yl)methylamino]butan-1-ol?
2-[(5-bromothiophen-3-yl)methylamino]butan-1-ol has a molecular weight of 264.19 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-3-yl)methylamino]butan-1-ol is sourced from PubChem (CID 43647042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).