N-[(E)-(2-bromophenyl)methylideneamino]-N-methylmethanamine

C9H11BrN2 — CID 110337061

IUPACN-[(E)-(2-bromophenyl)methylideneamino]-N-methylmethanamine
SMILESCN(C)/N=C/c1ccccc1Br
InChIInChI=1S/C9H11BrN2/c1-12(2)11-7-8-5-3-4-6-9(8)10/h3-7H,1-2H3/b11-7+
InChIKeyKOFKYSSSAUKDBD-YRNVUSSQSA-N
MW227.11 g/mol
LogP2.34
Rot. Bonds2

About N-[(E)-(2-bromophenyl)methylideneamino]-N-methylmethanamine

N-[(E)-(2-bromophenyl)methylideneamino]-N-methylmethanamine (PubChem CID 110337061) has the molecular formula C9H11BrN2 and a molecular weight of 227.11 g/mol. Its IUPAC name is N-[(E)-(2-bromophenyl)methylideneamino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-(2-bromophenyl)methylideneamino]-N-methylmethanamine
PubChem CID110337061
Molecular FormulaC9H11BrN2
Molecular Weight227.11 g/mol
Exact Mass226.01
IUPAC NameN-[(E)-(2-bromophenyl)methylideneamino]-N-methylmethanamine
SMILESCN(C)/N=C/c1ccccc1Br
InChIInChI=1S/C9H11BrN2/c1-12(2)11-7-8-5-3-4-6-9(8)10/h3-7H,1-2H3/b11-7+
InChIKeyKOFKYSSSAUKDBD-YRNVUSSQSA-N
XLogP2.34
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.11
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-bromophenyl)methylideneamino]-N-methylmethanamine?
The IUPAC name of N-[(E)-(2-bromophenyl)methylideneamino]-N-methylmethanamine (CID 110337061) is N-[(E)-(2-bromophenyl)methylideneamino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-(2-bromophenyl)methylideneamino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-(2-bromophenyl)methylideneamino]-N-methylmethanamine is CN(C)/N=C/c1ccccc1Br.
What is the InChIKey of N-[(E)-(2-bromophenyl)methylideneamino]-N-methylmethanamine?
The InChIKey is KOFKYSSSAUKDBD-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H11BrN2/c1-12(2)11-7-8-5-3-4-6-9(8)10/h3-7H,1-2H3/b11-7+.
What are the key properties of N-[(E)-(2-bromophenyl)methylideneamino]-N-methylmethanamine?
N-[(E)-(2-bromophenyl)methylideneamino]-N-methylmethanamine has a molecular weight of 227.11 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-bromophenyl)methylideneamino]-N-methylmethanamine is sourced from PubChem (CID 110337061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).