N'-(2-bromophenyl)-N,N'-dimethylmethanediamine

C9H13BrN2 — CID 115226768

IUPACN'-(2-bromophenyl)-N,N'-dimethylmethanediamine
SMILESCNCN(C)c1ccccc1Br
InChIInChI=1S/C9H13BrN2/c1-11-7-12(2)9-6-4-3-5-8(9)10/h3-6,11H,7H2,1-2H3
InChIKeyZCLOSYFQNYRZTL-UHFFFAOYSA-N
MW229.12 g/mol
LogP2.06
Rot. Bonds3

About N'-(2-bromophenyl)-N,N'-dimethylmethanediamine

N'-(2-bromophenyl)-N,N'-dimethylmethanediamine (PubChem CID 115226768) has the molecular formula C9H13BrN2 and a molecular weight of 229.12 g/mol. Its IUPAC name is N'-(2-bromophenyl)-N,N'-dimethylmethanediamine.

Molecular Properties

Compound NameN'-(2-bromophenyl)-N,N'-dimethylmethanediamine
PubChem CID115226768
Molecular FormulaC9H13BrN2
Molecular Weight229.12 g/mol
Exact Mass228.03
IUPAC NameN'-(2-bromophenyl)-N,N'-dimethylmethanediamine
SMILESCNCN(C)c1ccccc1Br
InChIInChI=1S/C9H13BrN2/c1-11-7-12(2)9-6-4-3-5-8(9)10/h3-6,11H,7H2,1-2H3
InChIKeyZCLOSYFQNYRZTL-UHFFFAOYSA-N
XLogP2.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-bromophenyl)-N,N'-dimethylmethanediamine?
The IUPAC name of N'-(2-bromophenyl)-N,N'-dimethylmethanediamine (CID 115226768) is N'-(2-bromophenyl)-N,N'-dimethylmethanediamine.
What is the SMILES notation for N'-(2-bromophenyl)-N,N'-dimethylmethanediamine?
The canonical SMILES for N'-(2-bromophenyl)-N,N'-dimethylmethanediamine is CNCN(C)c1ccccc1Br.
What is the InChIKey of N'-(2-bromophenyl)-N,N'-dimethylmethanediamine?
The InChIKey is ZCLOSYFQNYRZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2/c1-11-7-12(2)9-6-4-3-5-8(9)10/h3-6,11H,7H2,1-2H3.
What are the key properties of N'-(2-bromophenyl)-N,N'-dimethylmethanediamine?
N'-(2-bromophenyl)-N,N'-dimethylmethanediamine has a molecular weight of 229.12 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromophenyl)-N,N'-dimethylmethanediamine is sourced from PubChem (CID 115226768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).