2-[(4-bromophenyl)methylideneamino]ethanamine

C9H11BrN2 — CID 141259105

IUPAC2-[(4-bromophenyl)methylideneamino]ethanamine
SMILESNCC/N=C/c1ccc(Br)cc1
InChIInChI=1S/C9H11BrN2/c10-9-3-1-8(2-4-9)7-12-6-5-11/h1-4,7H,5-6,11H2/b12-7+
InChIKeyRXKSIZIECVGUOM-KPKJPENVSA-N
MW227.11 g/mol
LogP1.83
Rot. Bonds3

About 2-[(4-bromophenyl)methylideneamino]ethanamine

2-[(4-bromophenyl)methylideneamino]ethanamine (PubChem CID 141259105) has the molecular formula C9H11BrN2 and a molecular weight of 227.11 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methylideneamino]ethanamine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methylideneamino]ethanamine
PubChem CID141259105
Molecular FormulaC9H11BrN2
Molecular Weight227.11 g/mol
Exact Mass226.01
IUPAC Name2-[(4-bromophenyl)methylideneamino]ethanamine
SMILESNCC/N=C/c1ccc(Br)cc1
InChIInChI=1S/C9H11BrN2/c10-9-3-1-8(2-4-9)7-12-6-5-11/h1-4,7H,5-6,11H2/b12-7+
InChIKeyRXKSIZIECVGUOM-KPKJPENVSA-N
XLogP1.83
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.11
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methylideneamino]ethanamine?
The IUPAC name of 2-[(4-bromophenyl)methylideneamino]ethanamine (CID 141259105) is 2-[(4-bromophenyl)methylideneamino]ethanamine.
What is the SMILES notation for 2-[(4-bromophenyl)methylideneamino]ethanamine?
The canonical SMILES for 2-[(4-bromophenyl)methylideneamino]ethanamine is NCC/N=C/c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methylideneamino]ethanamine?
The InChIKey is RXKSIZIECVGUOM-KPKJPENVSA-N. The full InChI is InChI=1S/C9H11BrN2/c10-9-3-1-8(2-4-9)7-12-6-5-11/h1-4,7H,5-6,11H2/b12-7+.
What are the key properties of 2-[(4-bromophenyl)methylideneamino]ethanamine?
2-[(4-bromophenyl)methylideneamino]ethanamine has a molecular weight of 227.11 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methylideneamino]ethanamine is sourced from PubChem (CID 141259105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).