2-(2,4-difluorophenoxy)-3-methyl-1-phenylbutan-1-amine

C17H19F2NO — CID 45281858

IUPAC2-(2,4-difluorophenoxy)-3-methyl-1-phenylbutan-1-amine
SMILESCC(C)C(Oc1ccc(F)cc1F)C(N)c1ccccc1
InChIInChI=1S/C17H19F2NO/c1-11(2)17(16(20)12-6-4-3-5-7-12)21-15-9-8-13(18)10-14(15)19/h3-11,16-17H,20H2,1-2H3
InChIKeyLYIJDWJRGXGOCG-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.07
Rot. Bonds5

About 2-(2,4-difluorophenoxy)-3-methyl-1-phenylbutan-1-amine

2-(2,4-difluorophenoxy)-3-methyl-1-phenylbutan-1-amine (PubChem CID 45281858) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-3-methyl-1-phenylbutan-1-amine.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-3-methyl-1-phenylbutan-1-amine
PubChem CID45281858
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name2-(2,4-difluorophenoxy)-3-methyl-1-phenylbutan-1-amine
SMILESCC(C)C(Oc1ccc(F)cc1F)C(N)c1ccccc1
InChIInChI=1S/C17H19F2NO/c1-11(2)17(16(20)12-6-4-3-5-7-12)21-15-9-8-13(18)10-14(15)19/h3-11,16-17H,20H2,1-2H3
InChIKeyLYIJDWJRGXGOCG-UHFFFAOYSA-N
XLogP4.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,4-difluorophenoxy)-3-methyl-1-phenylbutan-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

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-3-methyl-1-phenylbutan-1-amine?
The IUPAC name of 2-(2,4-difluorophenoxy)-3-methyl-1-phenylbutan-1-amine (CID 45281858) is 2-(2,4-difluorophenoxy)-3-methyl-1-phenylbutan-1-amine.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-3-methyl-1-phenylbutan-1-amine?
The canonical SMILES for 2-(2,4-difluorophenoxy)-3-methyl-1-phenylbutan-1-amine is CC(C)C(Oc1ccc(F)cc1F)C(N)c1ccccc1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-3-methyl-1-phenylbutan-1-amine?
The InChIKey is LYIJDWJRGXGOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-11(2)17(16(20)12-6-4-3-5-7-12)21-15-9-8-13(18)10-14(15)19/h3-11,16-17H,20H2,1-2H3.
What are the key properties of 2-(2,4-difluorophenoxy)-3-methyl-1-phenylbutan-1-amine?
2-(2,4-difluorophenoxy)-3-methyl-1-phenylbutan-1-amine has a molecular weight of 291.34 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-3-methyl-1-phenylbutan-1-amine is sourced from PubChem (CID 45281858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).