2-(3,4-dibromophenyl)-N-methylpropan-1-amine

C10H13Br2N — CID 105424502

IUPAC2-(3,4-dibromophenyl)-N-methylpropan-1-amine
SMILESCNCC(C)c1ccc(Br)c(Br)c1
InChIInChI=1S/C10H13Br2N/c1-7(6-13-2)8-3-4-9(11)10(12)5-8/h3-5,7,13H,6H2,1-2H3
InChIKeyGPFYFLIPTDLEFD-UHFFFAOYSA-N
MW307.03 g/mol
LogP3.53
Rot. Bonds3

About 2-(3,4-dibromophenyl)-N-methylpropan-1-amine

2-(3,4-dibromophenyl)-N-methylpropan-1-amine (PubChem CID 105424502) has the molecular formula C10H13Br2N and a molecular weight of 307.03 g/mol. Its IUPAC name is 2-(3,4-dibromophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3,4-dibromophenyl)-N-methylpropan-1-amine
PubChem CID105424502
Molecular FormulaC10H13Br2N
Molecular Weight307.03 g/mol
Exact Mass304.94
IUPAC Name2-(3,4-dibromophenyl)-N-methylpropan-1-amine
SMILESCNCC(C)c1ccc(Br)c(Br)c1
InChIInChI=1S/C10H13Br2N/c1-7(6-13-2)8-3-4-9(11)10(12)5-8/h3-5,7,13H,6H2,1-2H3
InChIKeyGPFYFLIPTDLEFD-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.03
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3,4-dibromophenyl)-N-methylpropan-1-amine 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

2-[3-bromo-4-(2-methylpropyl)phenyl]-N-methylpropan-1-amine
CID 105424666
N-methyl-2-naphthalen-2-ylpropan-1-amine
CID 19847434
(2S)-2-(cyclodecapentaenyl)-N-methylpropan-1-amine
CID 166722722
2-(3-ethylphenyl)-N-methylpropan-1-amine
CID 105425624
(1R,2S)-1-amino-1-(3,4-dibromophenyl)-3-methylpentan-2-ol
CID 171265799
(1S)-1-(3,4-dibromophenyl)-3-methylbutan-1-amine
CID 130641493
2-[4-[(2-bromo-4-chlorophenoxy)methyl]phenyl]-N-methylpropan-1-amine
CID 105350753
2-(3-bromo-4-propan-2-ylsulfanylphenyl)-2-fluoro-N-methylethanamine
CID 105424604
(1R)-1-(3,4-dibromophenyl)-4-methylpentan-1-amine
CID 171215462
(1S)-1-(3,4-dibromophenyl)-2-methoxyethanamine
CID 130739602
2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]-N-methylpropan-1-amine
CID 105347344
2-[4-[(4-bromo-2-methylphenoxy)methyl]phenyl]-N-methylpropan-1-amine
CID 105350906

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dibromophenyl)-N-methylpropan-1-amine?
The IUPAC name of 2-(3,4-dibromophenyl)-N-methylpropan-1-amine (CID 105424502) is 2-(3,4-dibromophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(3,4-dibromophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-(3,4-dibromophenyl)-N-methylpropan-1-amine is CNCC(C)c1ccc(Br)c(Br)c1.
What is the InChIKey of 2-(3,4-dibromophenyl)-N-methylpropan-1-amine?
The InChIKey is GPFYFLIPTDLEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2N/c1-7(6-13-2)8-3-4-9(11)10(12)5-8/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 2-(3,4-dibromophenyl)-N-methylpropan-1-amine?
2-(3,4-dibromophenyl)-N-methylpropan-1-amine has a molecular weight of 307.03 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dibromophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 105424502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).