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

C9H14BrNOS — CID 62332796

IUPAC1-[(5-bromothiophen-2-yl)methyl-methylamino]propan-2-ol
SMILESCC(O)CN(C)Cc1ccc(Br)s1
InChIInChI=1S/C9H14BrNOS/c1-7(12)5-11(2)6-8-3-4-9(10)13-8/h3-4,7,12H,5-6H2,1-2H3
InChIKeyFABFNBPKHHDTOK-UHFFFAOYSA-N
MW264.19 g/mol
LogP2.32
Rot. Bonds4

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

1-[(5-bromothiophen-2-yl)methyl-methylamino]propan-2-ol (PubChem CID 62332796) has the molecular formula C9H14BrNOS and a molecular weight of 264.19 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)methyl-methylamino]propan-2-ol
PubChem CID62332796
Molecular FormulaC9H14BrNOS
Molecular Weight264.19 g/mol
Exact Mass263.00
IUPAC Name1-[(5-bromothiophen-2-yl)methyl-methylamino]propan-2-ol
SMILESCC(O)CN(C)Cc1ccc(Br)s1
InChIInChI=1S/C9H14BrNOS/c1-7(12)5-11(2)6-8-3-4-9(10)13-8/h3-4,7,12H,5-6H2,1-2H3
InChIKeyFABFNBPKHHDTOK-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

methyl 3-[(5-bromothiophen-2-yl)methyl-methylamino]-2-methylpropanoate
CID 55028537
2-[(5-bromothiophen-2-yl)methyl-methylamino]propan-1-ol
CID 115736745
N-[(5-bromothiophen-2-yl)methyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine
CID 115255075
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 60670568
1-N-[(5-bromothiophen-2-yl)methyl]-1-N-methylpentane-1,4-diamine
CID 115203922
2-[(5-bromothiophen-2-yl)methyl-methylamino]propanoic acid
CID 62638904
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N'-hydroxyethanimidamide
CID 76873746
N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride
CID 115194760
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-ethylacetamide
CID 60670553
1-[(5-bromofuran-2-yl)methyl-methylamino]propan-2-ol
CID 62335415
2-amino-N-[(5-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide;hydrochloride
CID 119270973
3-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylbutanamide;hydrochloride
CID 119688978

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)methyl-methylamino]propan-2-ol?
The IUPAC name of 1-[(5-bromothiophen-2-yl)methyl-methylamino]propan-2-ol (CID 62332796) is 1-[(5-bromothiophen-2-yl)methyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)methyl-methylamino]propan-2-ol?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)methyl-methylamino]propan-2-ol is CC(O)CN(C)Cc1ccc(Br)s1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)methyl-methylamino]propan-2-ol?
The InChIKey is FABFNBPKHHDTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNOS/c1-7(12)5-11(2)6-8-3-4-9(10)13-8/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of 1-[(5-bromothiophen-2-yl)methyl-methylamino]propan-2-ol?
1-[(5-bromothiophen-2-yl)methyl-methylamino]propan-2-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 1-[(5-bromothiophen-2-yl)methyl-methylamino]propan-2-ol is sourced from PubChem (CID 62332796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).