1-(5-bromofuran-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine

C13H17BrN2O2 — CID 43526191

IUPAC1-(5-bromofuran-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
SMILESCc1ccc(CN(C)C(CN)c2ccc(Br)o2)o1
InChIInChI=1S/C13H17BrN2O2/c1-9-3-4-10(17-9)8-16(2)11(7-15)12-5-6-13(14)18-12/h3-6,11H,7-8,15H2,1-2H3
InChIKeyATSPKJIKGAJLPO-UHFFFAOYSA-N
MW313.20 g/mol
LogP3.08
Rot. Bonds5

About 1-(5-bromofuran-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine

1-(5-bromofuran-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine (PubChem CID 43526191) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.20 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
PubChem CID43526191
Molecular FormulaC13H17BrN2O2
Molecular Weight313.20 g/mol
Exact Mass312.05
IUPAC Name1-(5-bromofuran-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
SMILESCc1ccc(CN(C)C(CN)c2ccc(Br)o2)o1
InChIInChI=1S/C13H17BrN2O2/c1-9-3-4-10(17-9)8-16(2)11(7-15)12-5-6-13(14)18-12/h3-6,11H,7-8,15H2,1-2H3
InChIKeyATSPKJIKGAJLPO-UHFFFAOYSA-N
XLogP3.08
TPSA55.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromofuran-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine with MolForge

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Related Compounds

N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 43526188
1-(furan-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 63208254
1-(5-bromofuran-2-yl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61417281
1-(6-methoxy-3-pyridinyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 114937012
1-(2-cyclopropylphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 79970674
1-(3-chloro-4-fluorophenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 81146223
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 115989848
1-(5-bromofuran-2-yl)-N-(3,3-dimethylbutan-2-yl)-N-methylethane-1,2-diamine
CID 55011064
1-(5-bromofuran-2-yl)-N-methyl-N-phenylethane-1,2-diamine
CID 16781258
1-(5-bromofuran-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 54945007
3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]pentane-1,3-diamine
CID 43526109
N-methyl-1-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563212

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine (CID 43526191) is 1-(5-bromofuran-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine is Cc1ccc(CN(C)C(CN)c2ccc(Br)o2)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is ATSPKJIKGAJLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-9-3-4-10(17-9)8-16(2)11(7-15)12-5-6-13(14)18-12/h3-6,11H,7-8,15H2,1-2H3.
What are the key properties of 1-(5-bromofuran-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine?
1-(5-bromofuran-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 313.20 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 43526191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).