1-(3,5-dibromophenyl)ethane-1,2-diamine;dihydrochloride

C8H12Br2Cl2N2 — CID 138109776

IUPAC1-(3,5-dibromophenyl)ethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.NCC(N)c1cc(Br)cc(Br)c1
InChIInChI=1S/C8H10Br2N2.2ClH/c9-6-1-5(8(12)4-11)2-7(10)3-6;;/h1-3,8H,4,11-12H2;2*1H
InChIKeyXUBXGWVANHVIOI-UHFFFAOYSA-N
MW366.91 g/mol
LogP3.01
Rot. Bonds2

About 1-(3,5-dibromophenyl)ethane-1,2-diamine;dihydrochloride

1-(3,5-dibromophenyl)ethane-1,2-diamine;dihydrochloride (PubChem CID 138109776) has the molecular formula C8H12Br2Cl2N2 and a molecular weight of 366.91 g/mol. Its IUPAC name is 1-(3,5-dibromophenyl)ethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound Name1-(3,5-dibromophenyl)ethane-1,2-diamine;dihydrochloride
PubChem CID138109776
Molecular FormulaC8H12Br2Cl2N2
Molecular Weight366.91 g/mol
Exact Mass363.87
IUPAC Name1-(3,5-dibromophenyl)ethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.NCC(N)c1cc(Br)cc(Br)c1
InChIInChI=1S/C8H10Br2N2.2ClH/c9-6-1-5(8(12)4-11)2-7(10)3-6;;/h1-3,8H,4,11-12H2;2*1H
InChIKeyXUBXGWVANHVIOI-UHFFFAOYSA-N
XLogP3.01
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.91
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3,5-dibromophenyl)ethane-1,2-diamine;hydrochloride
CID 171213915
(1R)-1-(3,5-dibromophenyl)ethane-1,2-diamine;hydrochloride
CID 171233543
3-bromo-5-[(1S)-1,2-diaminoethyl]benzoic acid
CID 131080638
1-(3,5-dibromophenyl)propan-1-amine
CID 91121714
(1R)-1-(3,5-dibromophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313945
(1R)-1-(3,5-dibromophenyl)pentan-1-amine;hydrochloride
CID 171213926
(1S)-1-(3,5-dibromophenyl)pentan-1-amine;hydrochloride
CID 171233554
(1R)-1-(3,5-dibromophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171213951
(1S)-1-(3,5-dibromophenyl)-2-methoxyethanamine
CID 131077040
(4S)-4-amino-4-(3,5-dibromophenyl)butan-1-ol
CID 171233582
1-(3,5-dibromophenyl)but-3-en-1-amine
CID 103693293
(4R)-4-amino-4-(3,5-dibromophenyl)butan-1-ol
CID 171213954

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromophenyl)ethane-1,2-diamine;dihydrochloride?
The IUPAC name of 1-(3,5-dibromophenyl)ethane-1,2-diamine;dihydrochloride (CID 138109776) is 1-(3,5-dibromophenyl)ethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for 1-(3,5-dibromophenyl)ethane-1,2-diamine;dihydrochloride?
The canonical SMILES for 1-(3,5-dibromophenyl)ethane-1,2-diamine;dihydrochloride is Cl.Cl.NCC(N)c1cc(Br)cc(Br)c1.
What is the InChIKey of 1-(3,5-dibromophenyl)ethane-1,2-diamine;dihydrochloride?
The InChIKey is XUBXGWVANHVIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Br2N2.2ClH/c9-6-1-5(8(12)4-11)2-7(10)3-6;;/h1-3,8H,4,11-12H2;2*1H.
What are the key properties of 1-(3,5-dibromophenyl)ethane-1,2-diamine;dihydrochloride?
1-(3,5-dibromophenyl)ethane-1,2-diamine;dihydrochloride has a molecular weight of 366.91 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromophenyl)ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 138109776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).