2-(4-bromothiophen-2-yl)-2-(oxolan-2-ylmethylamino)ethanol

C11H16BrNO2S — CID 61347967

IUPAC2-(4-bromothiophen-2-yl)-2-(oxolan-2-ylmethylamino)ethanol
SMILESOCC(NCC1CCCO1)c1cc(Br)cs1
InChIInChI=1S/C11H16BrNO2S/c12-8-4-11(16-7-8)10(6-14)13-5-9-2-1-3-15-9/h4,7,9-10,13-14H,1-3,5-6H2
InChIKeyPBOSYOJBHUIVMQ-UHFFFAOYSA-N
MW306.23 g/mol
LogP2.31
Rot. Bonds5

About 2-(4-bromothiophen-2-yl)-2-(oxolan-2-ylmethylamino)ethanol

2-(4-bromothiophen-2-yl)-2-(oxolan-2-ylmethylamino)ethanol (PubChem CID 61347967) has the molecular formula C11H16BrNO2S and a molecular weight of 306.23 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-2-(oxolan-2-ylmethylamino)ethanol.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-2-(oxolan-2-ylmethylamino)ethanol
PubChem CID61347967
Molecular FormulaC11H16BrNO2S
Molecular Weight306.23 g/mol
Exact Mass305.01
IUPAC Name2-(4-bromothiophen-2-yl)-2-(oxolan-2-ylmethylamino)ethanol
SMILESOCC(NCC1CCCO1)c1cc(Br)cs1
InChIInChI=1S/C11H16BrNO2S/c12-8-4-11(16-7-8)10(6-14)13-5-9-2-1-3-15-9/h4,7,9-10,13-14H,1-3,5-6H2
InChIKeyPBOSYOJBHUIVMQ-UHFFFAOYSA-N
XLogP2.31
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromothiophen-2-yl)-2-(oxolan-2-ylmethylamino)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 107167128
1-(4-bromothiophen-2-yl)-N-(oxan-2-ylmethyl)ethanamine
CID 107167331
2-(4-bromothiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetonitrile
CID 61346986
2-(3,4-dibromophenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 114077509
[1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105222541
1-(4-bromothiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 107167237
2-(4-bromothiophen-2-yl)-2-(cyclopropylamino)ethanol
CID 61346029
2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)ethanol
CID 61050569
1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-1-amine
CID 65164817
2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 79979937
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61049580
1-(4-bromothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 107167829

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-2-(oxolan-2-ylmethylamino)ethanol?
The IUPAC name of 2-(4-bromothiophen-2-yl)-2-(oxolan-2-ylmethylamino)ethanol (CID 61347967) is 2-(4-bromothiophen-2-yl)-2-(oxolan-2-ylmethylamino)ethanol.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-2-(oxolan-2-ylmethylamino)ethanol?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-2-(oxolan-2-ylmethylamino)ethanol is OCC(NCC1CCCO1)c1cc(Br)cs1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-2-(oxolan-2-ylmethylamino)ethanol?
The InChIKey is PBOSYOJBHUIVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S/c12-8-4-11(16-7-8)10(6-14)13-5-9-2-1-3-15-9/h4,7,9-10,13-14H,1-3,5-6H2.
What are the key properties of 2-(4-bromothiophen-2-yl)-2-(oxolan-2-ylmethylamino)ethanol?
2-(4-bromothiophen-2-yl)-2-(oxolan-2-ylmethylamino)ethanol has a molecular weight of 306.23 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-2-(oxolan-2-ylmethylamino)ethanol is sourced from PubChem (CID 61347967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).