1-(5-bromothiophen-2-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine

C11H17BrN2OS — CID 82732855

IUPAC1-(5-bromothiophen-2-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine
SMILESCN(C1CCOC1)C(CN)c1ccc(Br)s1
InChIInChI=1S/C11H17BrN2OS/c1-14(8-4-5-15-7-8)9(6-13)10-2-3-11(12)16-10/h2-3,8-9H,4-7,13H2,1H3
InChIKeyAPSGLARYQXZESD-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.23
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine

1-(5-bromothiophen-2-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 82732855) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine
PubChem CID82732855
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC Name1-(5-bromothiophen-2-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine
SMILESCN(C1CCOC1)C(CN)c1ccc(Br)s1
InChIInChI=1S/C11H17BrN2OS/c1-14(8-4-5-15-7-8)9(6-13)10-2-3-11(12)16-10/h2-3,8-9H,4-7,13H2,1H3
InChIKeyAPSGLARYQXZESD-UHFFFAOYSA-N
XLogP2.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromothiophen-2-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine 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-(2-bromo-4-chlorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine
CID 82733997
1-(2-fluorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine
CID 82733450
1-(2-bromo-4-fluorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine
CID 114059969
1-(5-bromothiophen-2-yl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54983656
1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine
CID 82734256
1-(5-bromothiophen-2-yl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 54983746
N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-(oxolan-3-yl)ethane-1,2-diamine
CID 82735293
1-(5-bromothiophen-2-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 43571920
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine
CID 82734604
1-(3-bromo-4-fluorophenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 43610904
1-(2-bromo-5-chlorophenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 66156239
3-N-methyl-3-N-(oxolan-3-yl)butane-1,3-diamine
CID 63556588

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine (CID 82732855) is 1-(5-bromothiophen-2-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine is CN(C1CCOC1)C(CN)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is APSGLARYQXZESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c1-14(8-4-5-15-7-8)9(6-13)10-2-3-11(12)16-10/h2-3,8-9H,4-7,13H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine?
1-(5-bromothiophen-2-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 305.24 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 82732855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).