2-[(4-bromo-5-methylthiophen-2-yl)methylamino]propan-1-ol

C9H14BrNOS — CID 102831611

IUPAC2-[(4-bromo-5-methylthiophen-2-yl)methylamino]propan-1-ol
SMILESCc1sc(CNC(C)CO)cc1Br
InChIInChI=1S/C9H14BrNOS/c1-6(5-12)11-4-8-3-9(10)7(2)13-8/h3,6,11-12H,4-5H2,1-2H3
InChIKeyDTLOSEUOJRMZLA-UHFFFAOYSA-N
MW264.19 g/mol
LogP2.29
Rot. Bonds4

About 2-[(4-bromo-5-methylthiophen-2-yl)methylamino]propan-1-ol

2-[(4-bromo-5-methylthiophen-2-yl)methylamino]propan-1-ol (PubChem CID 102831611) has the molecular formula C9H14BrNOS and a molecular weight of 264.19 g/mol. Its IUPAC name is 2-[(4-bromo-5-methylthiophen-2-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(4-bromo-5-methylthiophen-2-yl)methylamino]propan-1-ol
PubChem CID102831611
Molecular FormulaC9H14BrNOS
Molecular Weight264.19 g/mol
Exact Mass263.00
IUPAC Name2-[(4-bromo-5-methylthiophen-2-yl)methylamino]propan-1-ol
SMILESCc1sc(CNC(C)CO)cc1Br
InChIInChI=1S/C9H14BrNOS/c1-6(5-12)11-4-8-3-9(10)7(2)13-8/h3,6,11-12H,4-5H2,1-2H3
InChIKeyDTLOSEUOJRMZLA-UHFFFAOYSA-N
XLogP2.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.19
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-bromo-5-methylthiophen-2-yl)methylamino]pentan-1-ol
CID 102836538
N-[(4-bromo-5-methylthiophen-2-yl)methyl]pentan-2-amine
CID 102830099
2-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 102837149
(2S)-2-[(5-bromo-4-methylthiophen-2-yl)methylamino]propan-1-ol
CID 103778243
2-[(4-bromo-5-methylthiophen-2-yl)methylamino]-3-phenylpropan-1-ol
CID 102835691
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1,1-dimethoxypropan-2-amine
CID 102835924
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 114115104
(2S)-2-[(5-bromothiophen-2-yl)methylamino]propan-1-ol
CID 93082561
3-[(4,5-dibromothiophen-2-yl)methylamino]butan-1-ol
CID 102837210
2-[(4,5-dibromothiophen-2-yl)methylamino]propane-1,3-diol
CID 102836172
(1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(3-bromophenyl)ethanamine
CID 102836741
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(2,5-dimethylphenyl)ethanamine
CID 102833458

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-5-methylthiophen-2-yl)methylamino]propan-1-ol?
The IUPAC name of 2-[(4-bromo-5-methylthiophen-2-yl)methylamino]propan-1-ol (CID 102831611) is 2-[(4-bromo-5-methylthiophen-2-yl)methylamino]propan-1-ol.
What is the SMILES notation for 2-[(4-bromo-5-methylthiophen-2-yl)methylamino]propan-1-ol?
The canonical SMILES for 2-[(4-bromo-5-methylthiophen-2-yl)methylamino]propan-1-ol is Cc1sc(CNC(C)CO)cc1Br.
What is the InChIKey of 2-[(4-bromo-5-methylthiophen-2-yl)methylamino]propan-1-ol?
The InChIKey is DTLOSEUOJRMZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNOS/c1-6(5-12)11-4-8-3-9(10)7(2)13-8/h3,6,11-12H,4-5H2,1-2H3.
What are the key properties of 2-[(4-bromo-5-methylthiophen-2-yl)methylamino]propan-1-ol?
2-[(4-bromo-5-methylthiophen-2-yl)methylamino]propan-1-ol has a molecular weight of 264.19 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-5-methylthiophen-2-yl)methylamino]propan-1-ol is sourced from PubChem (CID 102831611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).