3-(3-bromo-5-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine

C17H19BrFNO — CID 116772571

IUPAC3-(3-bromo-5-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine
SMILESCNC(Cc1cc(F)cc(Br)c1)C(OC)c1ccccc1
InChIInChI=1S/C17H19BrFNO/c1-20-16(10-12-8-14(18)11-15(19)9-12)17(21-2)13-6-4-3-5-7-13/h3-9,11,16-17,20H,10H2,1-2H3
InChIKeyKWZODWGTFMAIHO-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.11
Rot. Bonds6

About 3-(3-bromo-5-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine

3-(3-bromo-5-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine (PubChem CID 116772571) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is 3-(3-bromo-5-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine.

Molecular Properties

Compound Name3-(3-bromo-5-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine
PubChem CID116772571
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC Name3-(3-bromo-5-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine
SMILESCNC(Cc1cc(F)cc(Br)c1)C(OC)c1ccccc1
InChIInChI=1S/C17H19BrFNO/c1-20-16(10-12-8-14(18)11-15(19)9-12)17(21-2)13-6-4-3-5-7-13/h3-9,11,16-17,20H,10H2,1-2H3
InChIKeyKWZODWGTFMAIHO-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromo-5-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine
CID 104845358
3-(2-bromo-3-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine
CID 116772577
1-(3-bromo-5-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine
CID 105015690
3-(furan-3-yl)-1-methoxy-N-methyl-1-phenylpropan-2-amine
CID 116772578
1-bromo-3-fluoro-5-(1-phenylethoxymethyl)benzene
CID 79702060
1-(3-bromo-5-fluorophenyl)-N,2-dimethylpentan-3-amine
CID 79702857
2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylethanamine
CID 79700045
[3-(3-bromo-4-fluorophenyl)-1-methoxy-1-phenylpropan-2-yl]hydrazine
CID 105278966
2-(3-bromo-5-fluorophenyl)-1-(3-iodophenyl)-N-methylethanamine
CID 105015718
3-(2-chlorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine
CID 116772583
N-[(3-bromo-5-fluorophenyl)methyl]-1-phenylpropan-2-amine
CID 79710487
1-methoxy-N-methyl-1-phenyl-3-pyridin-2-ylpropan-2-amine
CID 116772512

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine?
The IUPAC name of 3-(3-bromo-5-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine (CID 116772571) is 3-(3-bromo-5-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine.
What is the SMILES notation for 3-(3-bromo-5-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine?
The canonical SMILES for 3-(3-bromo-5-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine is CNC(Cc1cc(F)cc(Br)c1)C(OC)c1ccccc1.
What is the InChIKey of 3-(3-bromo-5-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine?
The InChIKey is KWZODWGTFMAIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-20-16(10-12-8-14(18)11-15(19)9-12)17(21-2)13-6-4-3-5-7-13/h3-9,11,16-17,20H,10H2,1-2H3.
What are the key properties of 3-(3-bromo-5-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine?
3-(3-bromo-5-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine has a molecular weight of 352.25 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine is sourced from PubChem (CID 116772571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).