2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]ethanamine

C10H13Br2NS — CID 102836218

IUPAC2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]ethanamine
SMILESBrc1cc(CNCCC2CC2)sc1Br
InChIInChI=1S/C10H13Br2NS/c11-9-5-8(14-10(9)12)6-13-4-3-7-1-2-7/h5,7,13H,1-4,6H2
InChIKeyQBXFTHDPLKFREK-UHFFFAOYSA-N
MW339.10 g/mol
LogP4.16
Rot. Bonds5

About 2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]ethanamine

2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]ethanamine (PubChem CID 102836218) has the molecular formula C10H13Br2NS and a molecular weight of 339.10 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]ethanamine
PubChem CID102836218
Molecular FormulaC10H13Br2NS
Molecular Weight339.10 g/mol
Exact Mass336.91
IUPAC Name2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]ethanamine
SMILESBrc1cc(CNCCC2CC2)sc1Br
InChIInChI=1S/C10H13Br2NS/c11-9-5-8(14-10(9)12)6-13-4-3-7-1-2-7/h5,7,13H,1-4,6H2
InChIKeyQBXFTHDPLKFREK-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.10
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]ethanamine 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

N-[(4,5-dibromothiophen-2-yl)methyl]-1-(oxan-4-yl)methanamine
CID 102835764
N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxyethanamine
CID 80536287
2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]propan-1-amine
CID 102837489
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-3-cyclopentylpropan-1-amine
CID 106007961
N-[(4,5-dibromothiophen-2-yl)methyl]-3-ethoxypropan-1-amine
CID 102830644
4,5-dibromo-N-(2-cyclopropylethyl)thiophene-2-carboxamide
CID 79036871
N-[(4,5-dibromothiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 102835841
N-[(4,5-dibromothiophen-2-yl)methyl]-2-phenylethanamine
CID 102830487
1,1-dicyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
CID 102830980
2-[(4,5-dibromothiophen-2-yl)methylamino]-N-methylethanesulfonamide
CID 106333932
N-[(4,5-dibromothiophen-2-yl)methyl]-3-phenylpropan-1-amine
CID 102830835
N-[(4,5-dibromothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine
CID 103460897

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]ethanamine (CID 102836218) is 2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]ethanamine is Brc1cc(CNCCC2CC2)sc1Br.
What is the InChIKey of 2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]ethanamine?
The InChIKey is QBXFTHDPLKFREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NS/c11-9-5-8(14-10(9)12)6-13-4-3-7-1-2-7/h5,7,13H,1-4,6H2.
What are the key properties of 2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]ethanamine?
2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]ethanamine has a molecular weight of 339.10 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 102836218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).