3-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol

C10H16BrNOS — CID 81338565

IUPAC3-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol
SMILESCC(CCO)NC(C)c1ccc(Br)s1
InChIInChI=1S/C10H16BrNOS/c1-7(5-6-13)12-8(2)9-3-4-10(11)14-9/h3-4,7-8,12-13H,5-6H2,1-2H3
InChIKeyWACQJAUNRZCEIX-UHFFFAOYSA-N
MW278.22 g/mol
LogP2.93
Rot. Bonds5

About 3-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol

3-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol (PubChem CID 81338565) has the molecular formula C10H16BrNOS and a molecular weight of 278.22 g/mol. Its IUPAC name is 3-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name3-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol
PubChem CID81338565
Molecular FormulaC10H16BrNOS
Molecular Weight278.22 g/mol
Exact Mass277.01
IUPAC Name3-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol
SMILESCC(CCO)NC(C)c1ccc(Br)s1
InChIInChI=1S/C10H16BrNOS/c1-7(5-6-13)12-8(2)9-3-4-10(11)14-9/h3-4,7-8,12-13H,5-6H2,1-2H3
InChIKeyWACQJAUNRZCEIX-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

(4R)-4-[[(1S)-1-(5-bromothiophen-2-yl)ethyl]amino]pentan-1-ol
CID 97051516
N-[1-(5-bromothiophen-2-yl)ethyl]-6-methylheptan-2-amine
CID 63421410
(3R)-3-[1-(5-ethylthiophen-2-yl)ethylamino]butan-1-ol
CID 103871723
N-[1-(5-bromothiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115721712
(2S)-2-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 104980461
4-[1-(5-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol
CID 66090594
3-[1-(4-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 107167468
3-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol
CID 115777954
(2S)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol
CID 96784282
(2R)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol
CID 96784283
[(1S)-1-(5-bromothiophen-2-yl)ethyl]hydrazine
CID 93426787
3-[1-(5-bromothiophen-2-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 115359127

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol?
The IUPAC name of 3-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol (CID 81338565) is 3-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol.
What is the SMILES notation for 3-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol?
The canonical SMILES for 3-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol is CC(CCO)NC(C)c1ccc(Br)s1.
What is the InChIKey of 3-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol?
The InChIKey is WACQJAUNRZCEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNOS/c1-7(5-6-13)12-8(2)9-3-4-10(11)14-9/h3-4,7-8,12-13H,5-6H2,1-2H3.
What are the key properties of 3-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol?
3-[1-(5-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-(5-bromothiophen-2-yl)ethylamino]butan-1-ol is sourced from PubChem (CID 81338565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).