2-(5-bromo-2-methoxyphenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine

C16H16BrClFNO — CID 63419933

IUPAC2-(5-bromo-2-methoxyphenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(Br)ccc1OC)c1ccc(F)cc1Cl
InChIInChI=1S/C16H16BrClFNO/c1-20-15(13-5-4-12(19)9-14(13)18)8-10-7-11(17)3-6-16(10)21-2/h3-7,9,15,20H,8H2,1-2H3
InChIKeyMLSIPCGYOALNMR-UHFFFAOYSA-N
MW372.67 g/mol
LogP4.75
Rot. Bonds5

About 2-(5-bromo-2-methoxyphenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine

2-(5-bromo-2-methoxyphenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine (PubChem CID 63419933) has the molecular formula C16H16BrClFNO and a molecular weight of 372.67 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine
PubChem CID63419933
Molecular FormulaC16H16BrClFNO
Molecular Weight372.67 g/mol
Exact Mass371.01
IUPAC Name2-(5-bromo-2-methoxyphenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(Br)ccc1OC)c1ccc(F)cc1Cl
InChIInChI=1S/C16H16BrClFNO/c1-20-15(13-5-4-12(19)9-14(13)18)8-10-7-11(17)3-6-16(10)21-2/h3-7,9,15,20H,8H2,1-2H3
InChIKeyMLSIPCGYOALNMR-UHFFFAOYSA-N
XLogP4.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.67
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-chlorophenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 115826208
1-(2-bromo-4-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)-N-methylethanamine
CID 107992250
1-(5-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 61066107
1-(4-bromo-2-fluorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 114906319
2-(5-bromo-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 63414513
2-(5-bromo-2-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylethanamine
CID 115817218
1-(3-bromo-5-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)-N-methylethanamine
CID 66426032
1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-4-fluorophenyl)propan-2-ol
CID 63035597
2-(2-bromophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 63420196
1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-2-chloro-4-fluorobenzene
CID 63427282
2-(5-bromo-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine
CID 106857259
1-(2-bromo-4-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 115779284

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine (CID 63419933) is 2-(5-bromo-2-methoxyphenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine is CNC(Cc1cc(Br)ccc1OC)c1ccc(F)cc1Cl.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine?
The InChIKey is MLSIPCGYOALNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFNO/c1-20-15(13-5-4-12(19)9-14(13)18)8-10-7-11(17)3-6-16(10)21-2/h3-7,9,15,20H,8H2,1-2H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine?
2-(5-bromo-2-methoxyphenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine has a molecular weight of 372.67 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 63419933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).