1-(3,5-dibromophenyl)-N-methylethanamine

C9H11Br2N — CID 23147742

IUPAC1-(3,5-dibromophenyl)-N-methylethanamine
SMILESCNC(C)c1cc(Br)cc(Br)c1
InChIInChI=1S/C9H11Br2N/c1-6(12-2)7-3-8(10)5-9(11)4-7/h3-6,12H,1-2H3
InChIKeyZMZUDHKTYXFEJQ-UHFFFAOYSA-N
MW293.00 g/mol
LogP3.49
Rot. Bonds2

About 1-(3,5-dibromophenyl)-N-methylethanamine

1-(3,5-dibromophenyl)-N-methylethanamine (PubChem CID 23147742) has the molecular formula C9H11Br2N and a molecular weight of 293.00 g/mol. Its IUPAC name is 1-(3,5-dibromophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3,5-dibromophenyl)-N-methylethanamine
PubChem CID23147742
Molecular FormulaC9H11Br2N
Molecular Weight293.00 g/mol
Exact Mass290.93
IUPAC Name1-(3,5-dibromophenyl)-N-methylethanamine
SMILESCNC(C)c1cc(Br)cc(Br)c1
InChIInChI=1S/C9H11Br2N/c1-6(12-2)7-3-8(10)5-9(11)4-7/h3-6,12H,1-2H3
InChIKeyZMZUDHKTYXFEJQ-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.00
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3,5-dibromophenyl)-N-methylethanamine 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

1-(4-bromo-3,5-difluorophenyl)-N-methylethanamine
CID 129130089
1-(5-bromo-1-methylpyrrol-3-yl)-N-methylethanamine
CID 105470582
(1S)-1-(4-bromo-3-chlorophenyl)-N-methylethanamine
CID 130663868
1-(3,5-dibromophenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 114022838
(1R)-1-(3-bromo-4-chlorophenyl)-N-methylethanamine
CID 130682400
(1R)-1-(4-bromo-3-chlorophenyl)-N-methylethanamine
CID 130690836
1-(3,5-dibromophenyl)ethanamine
CID 23147757
1-(3,5-dibromophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 107974526
1-[3-(3-bromophenyl)phenyl]-N-methylethanamine
CID 113324687
(1S)-1-(3,5-dibromophenyl)ethanamine;hydrochloride
CID 171233549
1-[3-(4-bromophenyl)phenyl]-N-methylethanamine
CID 63888721
1-(3-bromo-4-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine
CID 107979866

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromophenyl)-N-methylethanamine?
The IUPAC name of 1-(3,5-dibromophenyl)-N-methylethanamine (CID 23147742) is 1-(3,5-dibromophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3,5-dibromophenyl)-N-methylethanamine?
The canonical SMILES for 1-(3,5-dibromophenyl)-N-methylethanamine is CNC(C)c1cc(Br)cc(Br)c1.
What is the InChIKey of 1-(3,5-dibromophenyl)-N-methylethanamine?
The InChIKey is ZMZUDHKTYXFEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2N/c1-6(12-2)7-3-8(10)5-9(11)4-7/h3-6,12H,1-2H3.
What are the key properties of 1-(3,5-dibromophenyl)-N-methylethanamine?
1-(3,5-dibromophenyl)-N-methylethanamine has a molecular weight of 293.00 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromophenyl)-N-methylethanamine is sourced from PubChem (CID 23147742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).