N-[(3-bromophenyl)methyl]-1-(4,5-dibromofuran-2-yl)-N-methylethane-1,2-diamine

C14H15Br3N2O — CID 62085068

IUPACN-[(3-bromophenyl)methyl]-1-(4,5-dibromofuran-2-yl)-N-methylethane-1,2-diamine
SMILESCN(Cc1cccc(Br)c1)C(CN)c1cc(Br)c(Br)o1
InChIInChI=1S/C14H15Br3N2O/c1-19(8-9-3-2-4-10(15)5-9)12(7-18)13-6-11(16)14(17)20-13/h2-6,12H,7-8,18H2,1H3
InChIKeyAXGDINNQWSRTSD-UHFFFAOYSA-N
MW467.00 g/mol
LogP4.70
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-1-(4,5-dibromofuran-2-yl)-N-methylethane-1,2-diamine

N-[(3-bromophenyl)methyl]-1-(4,5-dibromofuran-2-yl)-N-methylethane-1,2-diamine (PubChem CID 62085068) has the molecular formula C14H15Br3N2O and a molecular weight of 467.00 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-(4,5-dibromofuran-2-yl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-(4,5-dibromofuran-2-yl)-N-methylethane-1,2-diamine
PubChem CID62085068
Molecular FormulaC14H15Br3N2O
Molecular Weight467.00 g/mol
Exact Mass463.87
IUPAC NameN-[(3-bromophenyl)methyl]-1-(4,5-dibromofuran-2-yl)-N-methylethane-1,2-diamine
SMILESCN(Cc1cccc(Br)c1)C(CN)c1cc(Br)c(Br)o1
InChIInChI=1S/C14H15Br3N2O/c1-19(8-9-3-2-4-10(15)5-9)12(7-18)13-6-11(16)14(17)20-13/h2-6,12H,7-8,18H2,1H3
InChIKeyAXGDINNQWSRTSD-UHFFFAOYSA-N
XLogP4.70
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.00
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dibromofuran-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62085053
N-[(3-bromophenyl)methyl]-1-(furan-3-yl)-N-methylethane-1,2-diamine
CID 63208098
N-[(3-bromophenyl)methyl]-1-(3,5-dichlorophenyl)-N-methylethane-1,2-diamine
CID 63471937
1-(4-bromo-5-methylthiophen-2-yl)-N-[(3-bromophenyl)methyl]-N-methylethane-1,2-diamine
CID 102838606
N-[(3-bromophenyl)methyl]-1-(3-fluorophenyl)-N-methylethane-1,2-diamine
CID 61415282
N-[(3-bromophenyl)methyl]-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine
CID 61415283
N-[(3-bromophenyl)methyl]-1-(2,4-difluorophenyl)-N-methylethane-1,2-diamine
CID 61415951
N-[(3-bromophenyl)methyl]-1-(4-chloro-2-fluorophenyl)-N-methylethane-1,2-diamine
CID 114842951
1-(4,5-dibromofuran-2-yl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine
CID 55032745
1-(1-benzofuran-2-yl)-N-benzyl-N-methylethane-1,2-diamine
CID 63896231
1-(4,5-dibromofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine
CID 62085737
1-(4-bromo-2-fluorophenyl)-N-[(3-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61413518

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-(4,5-dibromofuran-2-yl)-N-methylethane-1,2-diamine?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-(4,5-dibromofuran-2-yl)-N-methylethane-1,2-diamine (CID 62085068) is N-[(3-bromophenyl)methyl]-1-(4,5-dibromofuran-2-yl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-(4,5-dibromofuran-2-yl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-(4,5-dibromofuran-2-yl)-N-methylethane-1,2-diamine is CN(Cc1cccc(Br)c1)C(CN)c1cc(Br)c(Br)o1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-(4,5-dibromofuran-2-yl)-N-methylethane-1,2-diamine?
The InChIKey is AXGDINNQWSRTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br3N2O/c1-19(8-9-3-2-4-10(15)5-9)12(7-18)13-6-11(16)14(17)20-13/h2-6,12H,7-8,18H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-1-(4,5-dibromofuran-2-yl)-N-methylethane-1,2-diamine?
N-[(3-bromophenyl)methyl]-1-(4,5-dibromofuran-2-yl)-N-methylethane-1,2-diamine has a molecular weight of 467.00 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1-(4,5-dibromofuran-2-yl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 62085068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).