1-(4-bromophenyl)-N-methoxyethenamine

C9H10BrNO — CID 56995875

IUPAC1-(4-bromophenyl)-N-methoxyethenamine
SMILESC=C(NOC)c1ccc(Br)cc1
InChIInChI=1S/C9H10BrNO/c1-7(11-12-2)8-3-5-9(10)6-4-8/h3-6,11H,1H2,2H3
InChIKeyOWKRQFVZMIGNBN-UHFFFAOYSA-N
MW228.09 g/mol
LogP2.57
Rot. Bonds3

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

1-(4-bromophenyl)-N-methoxyethenamine (PubChem CID 56995875) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-methoxyethenamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-methoxyethenamine
PubChem CID56995875
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name1-(4-bromophenyl)-N-methoxyethenamine
SMILESC=C(NOC)c1ccc(Br)cc1
InChIInChI=1S/C9H10BrNO/c1-7(11-12-2)8-3-5-9(10)6-4-8/h3-6,11H,1H2,2H3
InChIKeyOWKRQFVZMIGNBN-UHFFFAOYSA-N
XLogP2.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.57
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-methoxyethenamine with MolForge

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

Launch Full Analysis

Related Compounds

(2E)-3-amino-3-(4-bromophenyl)prop-2-enenitrile
CID 5706853
2-(4-Bromophenyl)-3,5,6-trimethylpyrazine 1,4-dioxide
CID 1627181
1-(1-Azidoethenyl)-4-bromobenzene
CID 13128354
N-(4-bromo-benzyl)-hydroxylamine
CID 18789540
1-Bromo-4-(1-isocyanatoethenyl)benzene
CID 117267252
1-(2-bromo-4-fluorophenyl)-N-methoxyethenamine
CID 57190116
1-(4-bromo-2-fluorophenyl)-N-methoxyethenamine
CID 57308211
2-bromo-1-(4-fluorophenyl)-N-methoxyethenamine
CID 91449813
[(1Z,3E)-1-[2-bromo-5-(trifluoromethyl)phenyl]-4-fluoropenta-1,3-dienyl]-methoxyazanium
CID 145268162
1-(4-Bromophenyl)-1-fluoroethanamine
CID 174736634
3-Amino-3-(4-bromophenyl)acrylonitrile
CID 5399178
(S)-N-(1-(4-bromophenyl)ethyl)hydroxylamine
CID 28296225

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-methoxyethenamine?
The IUPAC name of 1-(4-bromophenyl)-N-methoxyethenamine (CID 56995875) is 1-(4-bromophenyl)-N-methoxyethenamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-methoxyethenamine?
The canonical SMILES for 1-(4-bromophenyl)-N-methoxyethenamine is C=C(NOC)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-methoxyethenamine?
The InChIKey is OWKRQFVZMIGNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c1-7(11-12-2)8-3-5-9(10)6-4-8/h3-6,11H,1H2,2H3.
What are the key properties of 1-(4-bromophenyl)-N-methoxyethenamine?
1-(4-bromophenyl)-N-methoxyethenamine has a molecular weight of 228.09 g/mol, XLogP of 2.57, 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-methoxyethenamine is sourced from PubChem (CID 56995875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).