(3,5-dibromophenyl)methanediamine

C7H8Br2N2 — CID 141415673

IUPAC(3,5-dibromophenyl)methanediamine
SMILESNC(N)c1cc(Br)cc(Br)c1
InChIInChI=1S/C7H8Br2N2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,7H,10-11H2
InChIKeyCCUFGIVIFRTBDE-UHFFFAOYSA-N
MW279.96 g/mol
LogP2.13
Rot. Bonds1

About (3,5-dibromophenyl)methanediamine

(3,5-dibromophenyl)methanediamine (PubChem CID 141415673) has the molecular formula C7H8Br2N2 and a molecular weight of 279.96 g/mol. Its IUPAC name is (3,5-dibromophenyl)methanediamine.

Molecular Properties

Compound Name(3,5-dibromophenyl)methanediamine
PubChem CID141415673
Molecular FormulaC7H8Br2N2
Molecular Weight279.96 g/mol
Exact Mass277.91
IUPAC Name(3,5-dibromophenyl)methanediamine
SMILESNC(N)c1cc(Br)cc(Br)c1
InChIInChI=1S/C7H8Br2N2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,7H,10-11H2
InChIKeyCCUFGIVIFRTBDE-UHFFFAOYSA-N
XLogP2.13
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.96
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dibromophenyl)ethanamine
CID 23147757
(1S)-1-(3,5-dibromophenyl)ethanamine;hydrochloride
CID 171233549
(1S)-1-(3,5-dibromophenyl)ethane-1,2-diamine;hydrochloride
CID 171213915
1-(3,5-dibromophenyl)propan-1-amine
CID 91121714
(1R)-1-(3,5-dibromophenyl)ethane-1,2-diamine;hydrochloride
CID 171233543
1-(3,5-dibromophenyl)ethane-1,2-diamine;dihydrochloride
CID 138109776
(4-bromophenyl)methanediamine
CID 68740698
(4R)-4-amino-4-(3,5-dibromophenyl)butan-1-ol
CID 171213954
(1S)-1-(3,5-dibromophenyl)-2-methoxyethanamine
CID 131077040
1-(3,5-dibromophenyl)-3-methylbut-2-en-1-amine
CID 107976193
(1R)-1-(3,5-dibromophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313945
(4S)-4-amino-4-(3,5-dibromophenyl)butan-1-ol
CID 171233582

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)methanediamine?
The IUPAC name of (3,5-dibromophenyl)methanediamine (CID 141415673) is (3,5-dibromophenyl)methanediamine.
What is the SMILES notation for (3,5-dibromophenyl)methanediamine?
The canonical SMILES for (3,5-dibromophenyl)methanediamine is NC(N)c1cc(Br)cc(Br)c1.
What is the InChIKey of (3,5-dibromophenyl)methanediamine?
The InChIKey is CCUFGIVIFRTBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Br2N2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,7H,10-11H2.
What are the key properties of (3,5-dibromophenyl)methanediamine?
(3,5-dibromophenyl)methanediamine has a molecular weight of 279.96 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromophenyl)methanediamine is sourced from PubChem (CID 141415673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).