1-bromo-N-[(2-bromophenyl)methyl]propan-2-amine

C10H13Br2N — CID 107859698

IUPAC1-bromo-N-[(2-bromophenyl)methyl]propan-2-amine
SMILESCC(CBr)NCc1ccccc1Br
InChIInChI=1S/C10H13Br2N/c1-8(6-11)13-7-9-4-2-3-5-10(9)12/h2-5,8,13H,6-7H2,1H3
InChIKeyNUEUNGUHBIGUCT-UHFFFAOYSA-N
MW307.03 g/mol
LogP3.32
Rot. Bonds4

About 1-bromo-N-[(2-bromophenyl)methyl]propan-2-amine

1-bromo-N-[(2-bromophenyl)methyl]propan-2-amine (PubChem CID 107859698) has the molecular formula C10H13Br2N and a molecular weight of 307.03 g/mol. Its IUPAC name is 1-bromo-N-[(2-bromophenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-bromo-N-[(2-bromophenyl)methyl]propan-2-amine
PubChem CID107859698
Molecular FormulaC10H13Br2N
Molecular Weight307.03 g/mol
Exact Mass304.94
IUPAC Name1-bromo-N-[(2-bromophenyl)methyl]propan-2-amine
SMILESCC(CBr)NCc1ccccc1Br
InChIInChI=1S/C10H13Br2N/c1-8(6-11)13-7-9-4-2-3-5-10(9)12/h2-5,8,13H,6-7H2,1H3
InChIKeyNUEUNGUHBIGUCT-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.03
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-bromo-N-[(2-bromophenyl)methyl]propan-2-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

N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
N-[(2-bromophenyl)methyl]propan-2-amine chloride
CID 19629100
1-bromo-N-[(2-fluorophenyl)methyl]propan-2-amine
CID 107859641
(4R)-4-[(2-bromophenyl)methylamino]pentan-1-ol
CID 97051682
2-N-[(2-bromophenyl)methyl]-3-methylbutane-1,2-diamine
CID 106345179
N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432739
1-bromo-N-[(2,3-dichlorophenyl)methyl]propan-2-amine
CID 107859555
N-[(2-bromophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine
CID 78950405
N-[(2-bromophenyl)methyl]-1-cyclopentylethanamine
CID 62632119
methyl 2-[(2-bromophenyl)methylamino]propanoate
CID 60691069
1-bromo-N-(pyrimidin-2-ylmethyl)propan-2-amine
CID 107859566
N-[(2-bromophenyl)methyl]-2-chloropropan-1-amine
CID 65023948

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-[(2-bromophenyl)methyl]propan-2-amine?
The IUPAC name of 1-bromo-N-[(2-bromophenyl)methyl]propan-2-amine (CID 107859698) is 1-bromo-N-[(2-bromophenyl)methyl]propan-2-amine.
What is the SMILES notation for 1-bromo-N-[(2-bromophenyl)methyl]propan-2-amine?
The canonical SMILES for 1-bromo-N-[(2-bromophenyl)methyl]propan-2-amine is CC(CBr)NCc1ccccc1Br.
What is the InChIKey of 1-bromo-N-[(2-bromophenyl)methyl]propan-2-amine?
The InChIKey is NUEUNGUHBIGUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2N/c1-8(6-11)13-7-9-4-2-3-5-10(9)12/h2-5,8,13H,6-7H2,1H3.
What are the key properties of 1-bromo-N-[(2-bromophenyl)methyl]propan-2-amine?
1-bromo-N-[(2-bromophenyl)methyl]propan-2-amine has a molecular weight of 307.03 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-[(2-bromophenyl)methyl]propan-2-amine is sourced from PubChem (CID 107859698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).