2-(5-bromo-2-methylphenoxy)-3-methyl-N-propylbutan-1-amine

C15H24BrNO — CID 107286248

IUPAC2-(5-bromo-2-methylphenoxy)-3-methyl-N-propylbutan-1-amine
SMILESCCCNCC(Oc1cc(Br)ccc1C)C(C)C
InChIInChI=1S/C15H24BrNO/c1-5-8-17-10-15(11(2)3)18-14-9-13(16)7-6-12(14)4/h6-7,9,11,15,17H,5,8,10H2,1-4H3
InChIKeyIUAZCOWATHHJQL-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.16
Rot. Bonds7

About 2-(5-bromo-2-methylphenoxy)-3-methyl-N-propylbutan-1-amine

2-(5-bromo-2-methylphenoxy)-3-methyl-N-propylbutan-1-amine (PubChem CID 107286248) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 2-(5-bromo-2-methylphenoxy)-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-(5-bromo-2-methylphenoxy)-3-methyl-N-propylbutan-1-amine
PubChem CID107286248
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name2-(5-bromo-2-methylphenoxy)-3-methyl-N-propylbutan-1-amine
SMILESCCCNCC(Oc1cc(Br)ccc1C)C(C)C
InChIInChI=1S/C15H24BrNO/c1-5-8-17-10-15(11(2)3)18-14-9-13(16)7-6-12(14)4/h6-7,9,11,15,17H,5,8,10H2,1-4H3
InChIKeyIUAZCOWATHHJQL-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(5-bromo-2-methylphenoxy)-3-methyl-N-propylbutan-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

3-methyl-2-(2-methyl-5-propan-2-ylphenoxy)-N-propylbutan-1-amine
CID 63497031
2-(2-bromo-4-fluorophenoxy)-3-methyl-N-propylbutan-1-amine
CID 55078029
4-bromo-2-butan-2-yloxy-1-methylbenzene
CID 103693573
2-(5-bromo-2-methylphenoxy)-N-ethylbutan-1-amine
CID 107286034
2-(5-bromo-2-methylphenoxy)-N-propan-2-ylbutan-1-amine
CID 107286035
2-(3-methoxyphenoxy)-3-methyl-N-propylbutan-1-amine
CID 62454884
3-methyl-2-phenoxy-N-propylbutan-1-amine
CID 62454475
2-(4-bromo-2-propan-2-ylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 115402763
2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpropan-1-amine
CID 62484519
2-(5-bromo-2-methylphenoxy)-3-methylbutanoic acid
CID 107283135
3-methyl-2-(4-propan-2-ylphenoxy)-N-propylbutan-1-amine
CID 63498370
2-(2-bromo-4-methylphenoxy)-N-ethyl-3-methylbutan-1-amine
CID 62460334

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylphenoxy)-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 2-(5-bromo-2-methylphenoxy)-3-methyl-N-propylbutan-1-amine (CID 107286248) is 2-(5-bromo-2-methylphenoxy)-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-(5-bromo-2-methylphenoxy)-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 2-(5-bromo-2-methylphenoxy)-3-methyl-N-propylbutan-1-amine is CCCNCC(Oc1cc(Br)ccc1C)C(C)C.
What is the InChIKey of 2-(5-bromo-2-methylphenoxy)-3-methyl-N-propylbutan-1-amine?
The InChIKey is IUAZCOWATHHJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-5-8-17-10-15(11(2)3)18-14-9-13(16)7-6-12(14)4/h6-7,9,11,15,17H,5,8,10H2,1-4H3.
What are the key properties of 2-(5-bromo-2-methylphenoxy)-3-methyl-N-propylbutan-1-amine?
2-(5-bromo-2-methylphenoxy)-3-methyl-N-propylbutan-1-amine has a molecular weight of 314.27 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methylphenoxy)-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 107286248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).