1-(3-bromo-5-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)-N-methylethanamine

C16H16Br2FNO — CID 66426032

IUPAC1-(3-bromo-5-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(Br)ccc1OC)c1cc(F)cc(Br)c1
InChIInChI=1S/C16H16Br2FNO/c1-20-15(10-5-13(18)9-14(19)7-10)8-11-6-12(17)3-4-16(11)21-2/h3-7,9,15,20H,8H2,1-2H3
InChIKeyVQEMVDGIBDAWMS-UHFFFAOYSA-N
MW417.12 g/mol
LogP4.86
Rot. Bonds5

About 1-(3-bromo-5-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)-N-methylethanamine

1-(3-bromo-5-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)-N-methylethanamine (PubChem CID 66426032) has the molecular formula C16H16Br2FNO and a molecular weight of 417.12 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)-N-methylethanamine
PubChem CID66426032
Molecular FormulaC16H16Br2FNO
Molecular Weight417.12 g/mol
Exact Mass414.96
IUPAC Name1-(3-bromo-5-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(Br)ccc1OC)c1cc(F)cc(Br)c1
InChIInChI=1S/C16H16Br2FNO/c1-20-15(10-5-13(18)9-14(19)7-10)8-11-6-12(17)3-4-16(11)21-2/h3-7,9,15,20H,8H2,1-2H3
InChIKeyVQEMVDGIBDAWMS-UHFFFAOYSA-N
XLogP4.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.12
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 66424639
2-(5-bromo-2-methoxyphenyl)-1-(4-bromo-3-methylphenyl)-N-methylethanamine
CID 115817291
2-(5-bromo-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 63414513
1-(3-bromo-5-chlorophenyl)-2-(5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 107945511
2-(5-bromo-2-methoxyphenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 63419933
1-(3-bromo-5-fluorophenyl)-2-(2,3-difluorophenyl)-N-methylethanamine
CID 66424445
2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylethanamine
CID 107974495
2-(5-bromo-2-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylethanamine
CID 115817218
1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 107946710
1-(3,5-dibromophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 107973909
2-(2-bromo-5-fluorophenyl)-1-(3-bromo-5-methylphenyl)-N-methylethanamine
CID 115843582
1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 43487402

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)-N-methylethanamine (CID 66426032) is 1-(3-bromo-5-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)-N-methylethanamine is CNC(Cc1cc(Br)ccc1OC)c1cc(F)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)-N-methylethanamine?
The InChIKey is VQEMVDGIBDAWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2FNO/c1-20-15(10-5-13(18)9-14(19)7-10)8-11-6-12(17)3-4-16(11)21-2/h3-7,9,15,20H,8H2,1-2H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)-N-methylethanamine?
1-(3-bromo-5-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)-N-methylethanamine has a molecular weight of 417.12 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 66426032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).