3-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol

C10H16BrNOS — CID 107167314

IUPAC3-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol
SMILESCC(CO)CNC(C)c1cc(Br)cs1
InChIInChI=1S/C10H16BrNOS/c1-7(5-13)4-12-8(2)10-3-9(11)6-14-10/h3,6-8,12-13H,4-5H2,1-2H3
InChIKeyPJGJRKFPKLMYEH-UHFFFAOYSA-N
MW278.22 g/mol
LogP2.79
Rot. Bonds5

About 3-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol

3-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol (PubChem CID 107167314) has the molecular formula C10H16BrNOS and a molecular weight of 278.22 g/mol. Its IUPAC name is 3-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol
PubChem CID107167314
Molecular FormulaC10H16BrNOS
Molecular Weight278.22 g/mol
Exact Mass277.01
IUPAC Name3-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol
SMILESCC(CO)CNC(C)c1cc(Br)cs1
InChIInChI=1S/C10H16BrNOS/c1-7(5-13)4-12-8(2)10-3-9(11)6-14-10/h3,6-8,12-13H,4-5H2,1-2H3
InChIKeyPJGJRKFPKLMYEH-UHFFFAOYSA-N
XLogP2.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(1R)-1-(4-bromothiophen-2-yl)ethyl]amino]propan-1-ol
CID 124626932
1-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol
CID 107167432
1-N-[1-(4-bromothiophen-2-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 107353919
1-(4-bromothiophen-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine
CID 107167279
3-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]pentan-3-ol
CID 107167370
1-(4-bromothiophen-2-yl)-N-(2-methylsulfonylethyl)ethanamine
CID 107167355
(1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine
CID 95366093
3-[1-(4-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 107167468
1-(4-bromothiophen-2-yl)-2-(propan-2-ylamino)ethanol
CID 3046798
N-[1-(4-bromothiophen-2-yl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 107167150
2-(4-bromothiophen-2-yl)-2-(dimethylamino)ethanol
CID 116857267
2-[1-(4-bromothiophen-2-yl)ethylamino]-2-phenylethanol
CID 107167453

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol?
The IUPAC name of 3-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol (CID 107167314) is 3-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol is CC(CO)CNC(C)c1cc(Br)cs1.
What is the InChIKey of 3-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol?
The InChIKey is PJGJRKFPKLMYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNOS/c1-7(5-13)4-12-8(2)10-3-9(11)6-14-10/h3,6-8,12-13H,4-5H2,1-2H3.
What are the key properties of 3-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol?
3-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol has a molecular weight of 278.22 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 107167314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).