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

C11H18BrNOS — CID 115359127

IUPAC3-[1-(5-bromothiophen-2-yl)ethylamino]-2,2-dimethylpropan-1-ol
SMILESCC(NCC(C)(C)CO)c1ccc(Br)s1
InChIInChI=1S/C11H18BrNOS/c1-8(9-4-5-10(12)15-9)13-6-11(2,3)7-14/h4-5,8,13-14H,6-7H2,1-3H3
InChIKeyDQPLSCQKAIZCEA-UHFFFAOYSA-N
MW292.24 g/mol
LogP3.18
Rot. Bonds5

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

3-[1-(5-bromothiophen-2-yl)ethylamino]-2,2-dimethylpropan-1-ol (PubChem CID 115359127) has the molecular formula C11H18BrNOS and a molecular weight of 292.24 g/mol. Its IUPAC name is 3-[1-(5-bromothiophen-2-yl)ethylamino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[1-(5-bromothiophen-2-yl)ethylamino]-2,2-dimethylpropan-1-ol
PubChem CID115359127
Molecular FormulaC11H18BrNOS
Molecular Weight292.24 g/mol
Exact Mass291.03
IUPAC Name3-[1-(5-bromothiophen-2-yl)ethylamino]-2,2-dimethylpropan-1-ol
SMILESCC(NCC(C)(C)CO)c1ccc(Br)s1
InChIInChI=1S/C11H18BrNOS/c1-8(9-4-5-10(12)15-9)13-6-11(2,3)7-14/h4-5,8,13-14H,6-7H2,1-3H3
InChIKeyDQPLSCQKAIZCEA-UHFFFAOYSA-N
XLogP3.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-bromothiophen-2-yl)ethylamino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[1-(5-bromothiophen-2-yl)ethylamino]-2,2-dimethylpropan-1-ol (CID 115359127) is 3-[1-(5-bromothiophen-2-yl)ethylamino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[1-(5-bromothiophen-2-yl)ethylamino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[1-(5-bromothiophen-2-yl)ethylamino]-2,2-dimethylpropan-1-ol is CC(NCC(C)(C)CO)c1ccc(Br)s1.
What is the InChIKey of 3-[1-(5-bromothiophen-2-yl)ethylamino]-2,2-dimethylpropan-1-ol?
The InChIKey is DQPLSCQKAIZCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNOS/c1-8(9-4-5-10(12)15-9)13-6-11(2,3)7-14/h4-5,8,13-14H,6-7H2,1-3H3.
What are the key properties of 3-[1-(5-bromothiophen-2-yl)ethylamino]-2,2-dimethylpropan-1-ol?
3-[1-(5-bromothiophen-2-yl)ethylamino]-2,2-dimethylpropan-1-ol has a molecular weight of 292.24 g/mol, XLogP of 3.18, 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]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115359127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).