2-[(5-bromothiophen-2-yl)methyl-methylamino]propan-1-ol

C9H14BrNOS — CID 115736745

IUPAC2-[(5-bromothiophen-2-yl)methyl-methylamino]propan-1-ol
SMILESCC(CO)N(C)Cc1ccc(Br)s1
InChIInChI=1S/C9H14BrNOS/c1-7(6-12)11(2)5-8-3-4-9(10)13-8/h3-4,7,12H,5-6H2,1-2H3
InChIKeyOXJDFLQCUCDLTK-UHFFFAOYSA-N
MW264.19 g/mol
LogP2.32
Rot. Bonds4

About 2-[(5-bromothiophen-2-yl)methyl-methylamino]propan-1-ol

2-[(5-bromothiophen-2-yl)methyl-methylamino]propan-1-ol (PubChem CID 115736745) has the molecular formula C9H14BrNOS and a molecular weight of 264.19 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methyl-methylamino]propan-1-ol
PubChem CID115736745
Molecular FormulaC9H14BrNOS
Molecular Weight264.19 g/mol
Exact Mass263.00
IUPAC Name2-[(5-bromothiophen-2-yl)methyl-methylamino]propan-1-ol
SMILESCC(CO)N(C)Cc1ccc(Br)s1
InChIInChI=1S/C9H14BrNOS/c1-7(6-12)11(2)5-8-3-4-9(10)13-8/h3-4,7,12H,5-6H2,1-2H3
InChIKeyOXJDFLQCUCDLTK-UHFFFAOYSA-N
XLogP2.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.19
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromothiophen-2-yl)methyl-methylamino]propanoic acid
CID 62638904
1-[(5-bromothiophen-2-yl)methyl-methylamino]propan-2-ol
CID 62332796
N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride
CID 115194760
1-[(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]propanoyl]imidazolidin-2-one
CID 8971871
(2S)-2-[(5-bromothiophen-2-yl)methylamino]propan-1-ol
CID 93082561
N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydroxypropylsulfanyl)-N-ethylacetamide
CID 79682097
(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(4-chlorophenyl)propanamide
CID 9298947
2-amino-N-[(5-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide;hydrochloride
CID 119270973
4-[(5-bromothiophen-2-yl)methyl-ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497542
3-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylbutanamide;hydrochloride
CID 119688978
4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylpentanamide
CID 115156744
2-[(5-bromothiophen-2-yl)methyl-methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 78793185

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methyl-methylamino]propan-1-ol?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methyl-methylamino]propan-1-ol (CID 115736745) is 2-[(5-bromothiophen-2-yl)methyl-methylamino]propan-1-ol.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methyl-methylamino]propan-1-ol?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methyl-methylamino]propan-1-ol is CC(CO)N(C)Cc1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methyl-methylamino]propan-1-ol?
The InChIKey is OXJDFLQCUCDLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNOS/c1-7(6-12)11(2)5-8-3-4-9(10)13-8/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of 2-[(5-bromothiophen-2-yl)methyl-methylamino]propan-1-ol?
2-[(5-bromothiophen-2-yl)methyl-methylamino]propan-1-ol has a molecular weight of 264.19 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)methyl-methylamino]propan-1-ol is sourced from PubChem (CID 115736745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).