2-[4-(5-bromothiophen-2-yl)butan-2-ylamino]ethanol

C10H16BrNOS — CID 83980502

IUPAC2-[4-(5-bromothiophen-2-yl)butan-2-ylamino]ethanol
SMILESCC(CCc1ccc(Br)s1)NCCO
InChIInChI=1S/C10H16BrNOS/c1-8(12-6-7-13)2-3-9-4-5-10(11)14-9/h4-5,8,12-13H,2-3,6-7H2,1H3
InChIKeyHTXZRKNGJIRUOO-UHFFFAOYSA-N
MW278.21 g/mol
LogP2.41
Rot. Bonds6

About 2-[4-(5-bromothiophen-2-yl)butan-2-ylamino]ethanol

2-[4-(5-bromothiophen-2-yl)butan-2-ylamino]ethanol (PubChem CID 83980502) has the molecular formula C10H16BrNOS and a molecular weight of 278.21 g/mol. Its IUPAC name is 2-[4-(5-bromothiophen-2-yl)butan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[4-(5-bromothiophen-2-yl)butan-2-ylamino]ethanol
PubChem CID83980502
Molecular FormulaC10H16BrNOS
Molecular Weight278.21 g/mol
Exact Mass277.01
IUPAC Name2-[4-(5-bromothiophen-2-yl)butan-2-ylamino]ethanol
SMILESCC(CCc1ccc(Br)s1)NCCO
InChIInChI=1S/C10H16BrNOS/c1-8(12-6-7-13)2-3-9-4-5-10(11)14-9/h4-5,8,12-13H,2-3,6-7H2,1H3
InChIKeyHTXZRKNGJIRUOO-UHFFFAOYSA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]pentan-2-amine
CID 115712481
5-(5-bromothiophen-2-yl)-N-propylpentan-2-amine
CID 64504724
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine
CID 106042738
(2R)-1-[2-(5-bromothiophen-2-yl)ethylamino]propan-2-ol
CID 96666636
5-(5-bromothiophen-2-yl)pentane-2,3-diol
CID 83935049
4-[3-[(5-bromothiophen-2-yl)methylamino]butyl]phenol
CID 43746698
(2S)-2-[(5-bromothiophen-2-yl)methylamino]propan-1-ol
CID 93082561
N-[2-(5-bromothiophen-2-yl)ethyl]-3-methylbutan-2-amine
CID 115712476
N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylpentan-1-amine
CID 106043149
N-[2-(5-bromothiophen-2-yl)ethyl]-1-phenylpropan-2-amine
CID 106042494
N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopropylpropan-2-amine
CID 115712482
3-[2-(5-bromothiophen-2-yl)ethylamino]-N'-hydroxybutanimidamide
CID 106034260

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromothiophen-2-yl)butan-2-ylamino]ethanol?
The IUPAC name of 2-[4-(5-bromothiophen-2-yl)butan-2-ylamino]ethanol (CID 83980502) is 2-[4-(5-bromothiophen-2-yl)butan-2-ylamino]ethanol.
What is the SMILES notation for 2-[4-(5-bromothiophen-2-yl)butan-2-ylamino]ethanol?
The canonical SMILES for 2-[4-(5-bromothiophen-2-yl)butan-2-ylamino]ethanol is CC(CCc1ccc(Br)s1)NCCO.
What is the InChIKey of 2-[4-(5-bromothiophen-2-yl)butan-2-ylamino]ethanol?
The InChIKey is HTXZRKNGJIRUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNOS/c1-8(12-6-7-13)2-3-9-4-5-10(11)14-9/h4-5,8,12-13H,2-3,6-7H2,1H3.
What are the key properties of 2-[4-(5-bromothiophen-2-yl)butan-2-ylamino]ethanol?
2-[4-(5-bromothiophen-2-yl)butan-2-ylamino]ethanol has a molecular weight of 278.21 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromothiophen-2-yl)butan-2-ylamino]ethanol is sourced from PubChem (CID 83980502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).