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

C10H16BrNOS — CID 107167468

IUPAC3-[1-(4-bromothiophen-2-yl)ethylamino]butan-1-ol
SMILESCC(CCO)NC(C)c1cc(Br)cs1
InChIInChI=1S/C10H16BrNOS/c1-7(3-4-13)12-8(2)10-5-9(11)6-14-10/h5-8,12-13H,3-4H2,1-2H3
InChIKeyOLUWNHHBPMHGKZ-UHFFFAOYSA-N
MW278.22 g/mol
LogP2.93
Rot. Bonds5

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

3-[1-(4-bromothiophen-2-yl)ethylamino]butan-1-ol (PubChem CID 107167468) 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]butan-1-ol.

Molecular Properties

Compound Name3-[1-(4-bromothiophen-2-yl)ethylamino]butan-1-ol
PubChem CID107167468
Molecular FormulaC10H16BrNOS
Molecular Weight278.22 g/mol
Exact Mass277.01
IUPAC Name3-[1-(4-bromothiophen-2-yl)ethylamino]butan-1-ol
SMILESCC(CCO)NC(C)c1cc(Br)cs1
InChIInChI=1S/C10H16BrNOS/c1-7(3-4-13)12-8(2)10-5-9(11)6-14-10/h5-8,12-13H,3-4H2,1-2H3
InChIKeyOLUWNHHBPMHGKZ-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
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
3-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 81338565
2-[1-(4-bromothiophen-2-yl)ethylamino]-2-phenylethanol
CID 107167453
(1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine
CID 95366093
3-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol
CID 107167314
2-(4-bromothiophen-2-yl)-2-(butan-2-ylamino)ethanol
CID 61348164
3-[1-(5-chlorothiophen-3-yl)ethylamino]butan-1-ol
CID 102976617
1-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol
CID 107167432
N-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 107354090
3-(1-thiophen-3-ylethylamino)butan-1-ol
CID 81338166
N-[1-(4-bromothiophen-2-yl)ethyl]-1-cyclopropylbutan-2-amine
CID 107354387
N-[1-(4-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 107354281

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-bromothiophen-2-yl)ethylamino]butan-1-ol?
The IUPAC name of 3-[1-(4-bromothiophen-2-yl)ethylamino]butan-1-ol (CID 107167468) is 3-[1-(4-bromothiophen-2-yl)ethylamino]butan-1-ol.
What is the SMILES notation for 3-[1-(4-bromothiophen-2-yl)ethylamino]butan-1-ol?
The canonical SMILES for 3-[1-(4-bromothiophen-2-yl)ethylamino]butan-1-ol is CC(CCO)NC(C)c1cc(Br)cs1.
What is the InChIKey of 3-[1-(4-bromothiophen-2-yl)ethylamino]butan-1-ol?
The InChIKey is OLUWNHHBPMHGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNOS/c1-7(3-4-13)12-8(2)10-5-9(11)6-14-10/h5-8,12-13H,3-4H2,1-2H3.
What are the key properties of 3-[1-(4-bromothiophen-2-yl)ethylamino]butan-1-ol?
3-[1-(4-bromothiophen-2-yl)ethylamino]butan-1-ol has a molecular weight of 278.22 g/mol, XLogP of 2.93, 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]butan-1-ol is sourced from PubChem (CID 107167468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).