1-(5-bromofuran-2-yl)-N-methyl-N-phenylethane-1,2-diamine

C13H15BrN2O — CID 16781258

IUPAC1-(5-bromofuran-2-yl)-N-methyl-N-phenylethane-1,2-diamine
SMILESCN(c1ccccc1)C(CN)c1ccc(Br)o1
InChIInChI=1S/C13H15BrN2O/c1-16(10-5-3-2-4-6-10)11(9-15)12-7-8-13(14)17-12/h2-8,11H,9,15H2,1H3
InChIKeyXVSVXOACTMNIHY-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.18
Rot. Bonds4

About 1-(5-bromofuran-2-yl)-N-methyl-N-phenylethane-1,2-diamine

1-(5-bromofuran-2-yl)-N-methyl-N-phenylethane-1,2-diamine (PubChem CID 16781258) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-N-methyl-N-phenylethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-N-methyl-N-phenylethane-1,2-diamine
PubChem CID16781258
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name1-(5-bromofuran-2-yl)-N-methyl-N-phenylethane-1,2-diamine
SMILESCN(c1ccccc1)C(CN)c1ccc(Br)o1
InChIInChI=1S/C13H15BrN2O/c1-16(10-5-3-2-4-6-10)11(9-15)12-7-8-13(14)17-12/h2-8,11H,9,15H2,1H3
InChIKeyXVSVXOACTMNIHY-UHFFFAOYSA-N
XLogP3.18
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromofuran-2-yl)-N-(3,3-dimethylbutan-2-yl)-N-methylethane-1,2-diamine
CID 55011064
1-(5-bromofuran-2-yl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61417281
1-[4-(dimethylamino)phenyl]-N-methyl-N-phenylethane-1,2-diamine
CID 16793153
1-(3-bromo-4-methylphenyl)-N-methyl-N-phenylethane-1,2-diamine
CID 105404647
1-(5-bromofuran-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 43526191
1-(5-bromofuran-2-yl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 16783175
1-(5-bromofuran-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 54945007
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylethane-1,2-diamine
CID 43327451
1-(2-cyclopropylphenyl)-N-methyl-N-phenylethane-1,2-diamine
CID 79983171
1-(4-fluoro-3-methylphenyl)-N-methyl-N-phenylethane-1,2-diamine
CID 62121476
N,N'-dimethyl-N,N',1,3-tetraphenylpropane-1,3-diamine
CID 20668858
1-(4,5-dibromofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine
CID 62085737

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-N-methyl-N-phenylethane-1,2-diamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-N-methyl-N-phenylethane-1,2-diamine (CID 16781258) is 1-(5-bromofuran-2-yl)-N-methyl-N-phenylethane-1,2-diamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-N-methyl-N-phenylethane-1,2-diamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-N-methyl-N-phenylethane-1,2-diamine is CN(c1ccccc1)C(CN)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-N-methyl-N-phenylethane-1,2-diamine?
The InChIKey is XVSVXOACTMNIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-16(10-5-3-2-4-6-10)11(9-15)12-7-8-13(14)17-12/h2-8,11H,9,15H2,1H3.
What are the key properties of 1-(5-bromofuran-2-yl)-N-methyl-N-phenylethane-1,2-diamine?
1-(5-bromofuran-2-yl)-N-methyl-N-phenylethane-1,2-diamine has a molecular weight of 295.18 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-N-methyl-N-phenylethane-1,2-diamine is sourced from PubChem (CID 16781258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).