2-[(2-bromophenyl)methoxy]-2-(2-fluorophenyl)-N-methylethanamine

C16H17BrFNO — CID 82831669

IUPAC2-[(2-bromophenyl)methoxy]-2-(2-fluorophenyl)-N-methylethanamine
SMILESCNCC(OCc1ccccc1Br)c1ccccc1F
InChIInChI=1S/C16H17BrFNO/c1-19-10-16(13-7-3-5-9-15(13)18)20-11-12-6-2-4-8-14(12)17/h2-9,16,19H,10-11H2,1H3
InChIKeyCWYXPUNKQZLHIA-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.07
Rot. Bonds6

About 2-[(2-bromophenyl)methoxy]-2-(2-fluorophenyl)-N-methylethanamine

2-[(2-bromophenyl)methoxy]-2-(2-fluorophenyl)-N-methylethanamine (PubChem CID 82831669) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methoxy]-2-(2-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-[(2-bromophenyl)methoxy]-2-(2-fluorophenyl)-N-methylethanamine
PubChem CID82831669
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name2-[(2-bromophenyl)methoxy]-2-(2-fluorophenyl)-N-methylethanamine
SMILESCNCC(OCc1ccccc1Br)c1ccccc1F
InChIInChI=1S/C16H17BrFNO/c1-19-10-16(13-7-3-5-9-15(13)18)20-11-12-6-2-4-8-14(12)17/h2-9,16,19H,10-11H2,1H3
InChIKeyCWYXPUNKQZLHIA-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-N-methyl-2-propoxyethanamine
CID 62108186
(2R)-2-(2-fluorophenyl)-2-methoxy-N-methylethanamine
CID 94355994
2-[(3-chlorophenyl)methoxy]-2-(2-fluorophenyl)-N-methylethanamine
CID 65124389
2-(2-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 62107488
2-(3-fluorophenyl)-2-[(2-fluorophenyl)methoxy]-N-methylethanamine
CID 63933012
2-(2-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)-N-methylethanamine
CID 106667015
2-(2-fluorophenyl)-2-[(2-fluorophenyl)methoxy]ethanamine
CID 63934056
2-(2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]-N-methylethanamine
CID 103405175
2-(2-bromophenyl)-2-methoxy-N-methylethanamine
CID 62106932
2-(2-bromophenyl)-N-methyl-2-(4-methylpentoxy)ethanamine
CID 55036243
2-(2-bromophenyl)-N-methyl-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82792734
2-(2-bromophenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 62107661

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methoxy]-2-(2-fluorophenyl)-N-methylethanamine?
The IUPAC name of 2-[(2-bromophenyl)methoxy]-2-(2-fluorophenyl)-N-methylethanamine (CID 82831669) is 2-[(2-bromophenyl)methoxy]-2-(2-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-[(2-bromophenyl)methoxy]-2-(2-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 2-[(2-bromophenyl)methoxy]-2-(2-fluorophenyl)-N-methylethanamine is CNCC(OCc1ccccc1Br)c1ccccc1F.
What is the InChIKey of 2-[(2-bromophenyl)methoxy]-2-(2-fluorophenyl)-N-methylethanamine?
The InChIKey is CWYXPUNKQZLHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-19-10-16(13-7-3-5-9-15(13)18)20-11-12-6-2-4-8-14(12)17/h2-9,16,19H,10-11H2,1H3.
What are the key properties of 2-[(2-bromophenyl)methoxy]-2-(2-fluorophenyl)-N-methylethanamine?
2-[(2-bromophenyl)methoxy]-2-(2-fluorophenyl)-N-methylethanamine has a molecular weight of 338.22 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methoxy]-2-(2-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 82831669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).