2-(3-bromo-4-fluorophenoxy)-N-methyl-2-phenylethanamine

C15H15BrFNO — CID 83235004

IUPAC2-(3-bromo-4-fluorophenoxy)-N-methyl-2-phenylethanamine
SMILESCNCC(Oc1ccc(F)c(Br)c1)c1ccccc1
InChIInChI=1S/C15H15BrFNO/c1-18-10-15(11-5-3-2-4-6-11)19-12-7-8-14(17)13(16)9-12/h2-9,15,18H,10H2,1H3
InChIKeyPLVHPOMTRASZKW-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.93
Rot. Bonds5

About 2-(3-bromo-4-fluorophenoxy)-N-methyl-2-phenylethanamine

2-(3-bromo-4-fluorophenoxy)-N-methyl-2-phenylethanamine (PubChem CID 83235004) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenoxy)-N-methyl-2-phenylethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenoxy)-N-methyl-2-phenylethanamine
PubChem CID83235004
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name2-(3-bromo-4-fluorophenoxy)-N-methyl-2-phenylethanamine
SMILESCNCC(Oc1ccc(F)c(Br)c1)c1ccccc1
InChIInChI=1S/C15H15BrFNO/c1-18-10-15(11-5-3-2-4-6-11)19-12-7-8-14(17)13(16)9-12/h2-9,15,18H,10H2,1H3
InChIKeyPLVHPOMTRASZKW-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromo-4-fluorophenoxy)-N-methyl-2-phenylethanamine 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-(4-chloro-3-fluorophenoxy)-N-methyl-2-phenylethanamine
CID 82726931
N-methyl-2-phenyl-2-(3-propan-2-ylphenoxy)ethanamine
CID 62454693
N,N-dimethyl-3-[2-(methylamino)-1-phenylethoxy]aniline
CID 62484883
2-(3-bromo-4-fluorophenoxy)-2-(3-methylphenyl)ethanamine
CID 83233344
2-(4-bromo-3-fluorophenoxy)-2-phenylethanamine
CID 65204084
2-(3-bromo-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine
CID 83232351
N-methyl-2-(4-methylsulfonylphenoxy)-2-phenylethanamine
CID 62485758
2-(3-bromo-4-fluorophenoxy)-2-pyridin-4-ylethanamine
CID 83232517
4-(3-bromo-4-fluorophenoxy)-N-methylbutan-1-amine
CID 83234496
2-bromo-1-fluoro-4-(3-phenoxypropoxy)benzene
CID 83231410
N-[2-(3-fluoro-4-methylphenoxy)-2-phenylethyl]cyclopropanamine
CID 107170780
3-(3-bromo-2,6-difluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 106943910

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenoxy)-N-methyl-2-phenylethanamine?
The IUPAC name of 2-(3-bromo-4-fluorophenoxy)-N-methyl-2-phenylethanamine (CID 83235004) is 2-(3-bromo-4-fluorophenoxy)-N-methyl-2-phenylethanamine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenoxy)-N-methyl-2-phenylethanamine?
The canonical SMILES for 2-(3-bromo-4-fluorophenoxy)-N-methyl-2-phenylethanamine is CNCC(Oc1ccc(F)c(Br)c1)c1ccccc1.
What is the InChIKey of 2-(3-bromo-4-fluorophenoxy)-N-methyl-2-phenylethanamine?
The InChIKey is PLVHPOMTRASZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-18-10-15(11-5-3-2-4-6-11)19-12-7-8-14(17)13(16)9-12/h2-9,15,18H,10H2,1H3.
What are the key properties of 2-(3-bromo-4-fluorophenoxy)-N-methyl-2-phenylethanamine?
2-(3-bromo-4-fluorophenoxy)-N-methyl-2-phenylethanamine has a molecular weight of 324.19 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenoxy)-N-methyl-2-phenylethanamine is sourced from PubChem (CID 83235004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).