(2R)-2-[(4-bromothiophen-2-yl)methylamino]butan-1-ol

C9H14BrNOS — CID 28833158

IUPAC(2R)-2-[(4-bromothiophen-2-yl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1cc(Br)cs1
InChIInChI=1S/C9H14BrNOS/c1-2-8(5-12)11-4-9-3-7(10)6-13-9/h3,6,8,11-12H,2,4-5H2,1H3/t8-/m1/s1
InChIKeyVRYNAFQMZWNZLF-MRVPVSSYSA-N
MW264.19 g/mol
LogP2.37
Rot. Bonds5

About (2R)-2-[(4-bromothiophen-2-yl)methylamino]butan-1-ol

(2R)-2-[(4-bromothiophen-2-yl)methylamino]butan-1-ol (PubChem CID 28833158) has the molecular formula C9H14BrNOS and a molecular weight of 264.19 g/mol. Its IUPAC name is (2R)-2-[(4-bromothiophen-2-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(4-bromothiophen-2-yl)methylamino]butan-1-ol
PubChem CID28833158
Molecular FormulaC9H14BrNOS
Molecular Weight264.19 g/mol
Exact Mass263.00
IUPAC Name(2R)-2-[(4-bromothiophen-2-yl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1cc(Br)cs1
InChIInChI=1S/C9H14BrNOS/c1-2-8(5-12)11-4-9-3-7(10)6-13-9/h3,6,8,11-12H,2,4-5H2,1H3/t8-/m1/s1
InChIKeyVRYNAFQMZWNZLF-MRVPVSSYSA-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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-bromothiophen-2-yl)methylamino]butan-1-ol?
The IUPAC name of (2R)-2-[(4-bromothiophen-2-yl)methylamino]butan-1-ol (CID 28833158) is (2R)-2-[(4-bromothiophen-2-yl)methylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[(4-bromothiophen-2-yl)methylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[(4-bromothiophen-2-yl)methylamino]butan-1-ol is CC[C@H](CO)NCc1cc(Br)cs1.
What is the InChIKey of (2R)-2-[(4-bromothiophen-2-yl)methylamino]butan-1-ol?
The InChIKey is VRYNAFQMZWNZLF-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H14BrNOS/c1-2-8(5-12)11-4-9-3-7(10)6-13-9/h3,6,8,11-12H,2,4-5H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-2-[(4-bromothiophen-2-yl)methylamino]butan-1-ol?
(2R)-2-[(4-bromothiophen-2-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 (2R)-2-[(4-bromothiophen-2-yl)methylamino]butan-1-ol is sourced from PubChem (CID 28833158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).