1-(2,3-dibromophenyl)ethane-1,2-diamine

C8H10Br2N2 — CID 130043520

IUPAC1-(2,3-dibromophenyl)ethane-1,2-diamine
SMILESNCC(N)c1cccc(Br)c1Br
InChIInChI=1S/C8H10Br2N2/c9-6-3-1-2-5(8(6)10)7(12)4-11/h1-3,7H,4,11-12H2
InChIKeyJRYLHAFCKWTFSZ-UHFFFAOYSA-N
MW293.99 g/mol
LogP2.17
Rot. Bonds2

About 1-(2,3-dibromophenyl)ethane-1,2-diamine

1-(2,3-dibromophenyl)ethane-1,2-diamine (PubChem CID 130043520) has the molecular formula C8H10Br2N2 and a molecular weight of 293.99 g/mol. Its IUPAC name is 1-(2,3-dibromophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,3-dibromophenyl)ethane-1,2-diamine
PubChem CID130043520
Molecular FormulaC8H10Br2N2
Molecular Weight293.99 g/mol
Exact Mass291.92
IUPAC Name1-(2,3-dibromophenyl)ethane-1,2-diamine
SMILESNCC(N)c1cccc(Br)c1Br
InChIInChI=1S/C8H10Br2N2/c9-6-3-1-2-5(8(6)10)7(12)4-11/h1-3,7H,4,11-12H2
InChIKeyJRYLHAFCKWTFSZ-UHFFFAOYSA-N
XLogP2.17
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.99
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-amino-1-(2,3-dibromophenyl)ethanol
CID 54407818
(3S)-3-amino-3-(2,3-dibromophenyl)propan-1-ol
CID 130664899
1-(2,3-dibromophenyl)-2-methoxyethanamine
CID 130043522
1-(2,3-dibromophenyl)-2-methylpropan-1-amine
CID 130000512
(1R)-1-(2-amino-6-bromophenyl)ethane-1,2-diamine
CID 131173127
1,2-dibromo-3-(difluoromethyl)benzene
CID 46311693
1-(2-bromo-3-iodophenyl)-2-methoxyethanamine
CID 130043791
(1S)-1-(2-bromo-6-chlorophenyl)ethane-1,2-diamine
CID 131086535
(1R)-1-(2-bromo-3-fluorophenyl)propane-1,3-diamine
CID 130889083
2-bromo-6-[(1R)-1,3-diaminopropyl]phenol
CID 130869295
(1R)-1-(3-bromo-2-fluorophenyl)-2-fluoroethanamine
CID 124707209
(1S)-1-(2-bromo-3-iodophenyl)but-3-en-1-amine
CID 130741028

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dibromophenyl)ethane-1,2-diamine?
The IUPAC name of 1-(2,3-dibromophenyl)ethane-1,2-diamine (CID 130043520) is 1-(2,3-dibromophenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,3-dibromophenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,3-dibromophenyl)ethane-1,2-diamine is NCC(N)c1cccc(Br)c1Br.
What is the InChIKey of 1-(2,3-dibromophenyl)ethane-1,2-diamine?
The InChIKey is JRYLHAFCKWTFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Br2N2/c9-6-3-1-2-5(8(6)10)7(12)4-11/h1-3,7H,4,11-12H2.
What are the key properties of 1-(2,3-dibromophenyl)ethane-1,2-diamine?
1-(2,3-dibromophenyl)ethane-1,2-diamine has a molecular weight of 293.99 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dibromophenyl)ethane-1,2-diamine is sourced from PubChem (CID 130043520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).