1-(4-bromophenyl)-N-methoxyethanamine

C9H12BrNO — CID 78955871

IUPAC1-(4-bromophenyl)-N-methoxyethanamine
SMILESCONC(C)c1ccc(Br)cc1
InChIInChI=1S/C9H12BrNO/c1-7(11-12-2)8-3-5-9(10)6-4-8/h3-7,11H,1-2H3
InChIKeyGNXPPSDMABIQFF-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.66
Rot. Bonds3

About 1-(4-bromophenyl)-N-methoxyethanamine

1-(4-bromophenyl)-N-methoxyethanamine (PubChem CID 78955871) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-methoxyethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-methoxyethanamine
PubChem CID78955871
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name1-(4-bromophenyl)-N-methoxyethanamine
SMILESCONC(C)c1ccc(Br)cc1
InChIInChI=1S/C9H12BrNO/c1-7(11-12-2)8-3-5-9(10)6-4-8/h3-7,11H,1-2H3
InChIKeyGNXPPSDMABIQFF-UHFFFAOYSA-N
XLogP2.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-methoxyethanamine?
The IUPAC name of 1-(4-bromophenyl)-N-methoxyethanamine (CID 78955871) is 1-(4-bromophenyl)-N-methoxyethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-methoxyethanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-methoxyethanamine is CONC(C)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-methoxyethanamine?
The InChIKey is GNXPPSDMABIQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-7(11-12-2)8-3-5-9(10)6-4-8/h3-7,11H,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-methoxyethanamine?
1-(4-bromophenyl)-N-methoxyethanamine has a molecular weight of 230.10 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-methoxyethanamine is sourced from PubChem (CID 78955871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).