1-(4-bromophenyl)-N-methoxymethanamine

C8H10BrNO — CID 12003579

IUPAC1-(4-bromophenyl)-N-methoxymethanamine
SMILESCONCc1ccc(Br)cc1
InChIInChI=1S/C8H10BrNO/c1-11-10-6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3
InChIKeyPBOTUGDVWWCKPQ-UHFFFAOYSA-N
MW216.08 g/mol
LogP2.10
Rot. Bonds3

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

1-(4-bromophenyl)-N-methoxymethanamine (PubChem CID 12003579) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-methoxymethanamine
PubChem CID12003579
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC Name1-(4-bromophenyl)-N-methoxymethanamine
SMILESCONCc1ccc(Br)cc1
InChIInChI=1S/C8H10BrNO/c1-11-10-6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3
InChIKeyPBOTUGDVWWCKPQ-UHFFFAOYSA-N
XLogP2.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-bromophenyl)-N-methoxymethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-methoxymethanamine?
The IUPAC name of 1-(4-bromophenyl)-N-methoxymethanamine (CID 12003579) is 1-(4-bromophenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-methoxymethanamine is CONCc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-methoxymethanamine?
The InChIKey is PBOTUGDVWWCKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-11-10-6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-methoxymethanamine?
1-(4-bromophenyl)-N-methoxymethanamine has a molecular weight of 216.08 g/mol, XLogP of 2.10, 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-methoxymethanamine is sourced from PubChem (CID 12003579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).