4-[1-(5-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol

C11H18BrNOS — CID 66090594

IUPAC4-[1-(5-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol
SMILESCC(CCO)CNC(C)c1ccc(Br)s1
InChIInChI=1S/C11H18BrNOS/c1-8(5-6-14)7-13-9(2)10-3-4-11(12)15-10/h3-4,8-9,13-14H,5-7H2,1-2H3
InChIKeyUCGPTGGLPFDHCQ-UHFFFAOYSA-N
MW292.24 g/mol
LogP3.18
Rot. Bonds6

About 4-[1-(5-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol

4-[1-(5-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol (PubChem CID 66090594) has the molecular formula C11H18BrNOS and a molecular weight of 292.24 g/mol. Its IUPAC name is 4-[1-(5-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[1-(5-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol
PubChem CID66090594
Molecular FormulaC11H18BrNOS
Molecular Weight292.24 g/mol
Exact Mass291.03
IUPAC Name4-[1-(5-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol
SMILESCC(CCO)CNC(C)c1ccc(Br)s1
InChIInChI=1S/C11H18BrNOS/c1-8(5-6-14)7-13-9(2)10-3-4-11(12)15-10/h3-4,8-9,13-14H,5-7H2,1-2H3
InChIKeyUCGPTGGLPFDHCQ-UHFFFAOYSA-N
XLogP3.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 81338565
(2R)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol
CID 96784283
(2S)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol
CID 96784282
3-[1-(5-bromothiophen-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 115712100
4-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol
CID 66092233
(4R)-4-[[(1S)-1-(5-bromothiophen-2-yl)ethyl]amino]pentan-1-ol
CID 97051516
3-[1-(5-bromothiophen-2-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 115359127
1-[1-(5-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol
CID 65102628
3-[[1-(5-bromothiophen-2-yl)ethylamino]methyl]pentan-3-ol
CID 65105459
2-[1-(5-bromothiophen-2-yl)ethylamino]-N-methylacetamide
CID 60999476
(1R)-1-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
CID 93424951
2-[1-(5-bromothiophen-2-yl)ethylamino]-N-tert-butylacetamide
CID 81296450

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol?
The IUPAC name of 4-[1-(5-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol (CID 66090594) is 4-[1-(5-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[1-(5-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[1-(5-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol is CC(CCO)CNC(C)c1ccc(Br)s1.
What is the InChIKey of 4-[1-(5-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol?
The InChIKey is UCGPTGGLPFDHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNOS/c1-8(5-6-14)7-13-9(2)10-3-4-11(12)15-10/h3-4,8-9,13-14H,5-7H2,1-2H3.
What are the key properties of 4-[1-(5-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol?
4-[1-(5-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol has a molecular weight of 292.24 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 66090594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).