1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine

C16H16BrClFNO — CID 107946710

IUPAC1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(OC)c1F)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C16H16BrClFNO/c1-20-14(11-6-12(17)9-13(18)7-11)8-10-4-3-5-15(21-2)16(10)19/h3-7,9,14,20H,8H2,1-2H3
InChIKeyMQZWMLMVTBYQMI-UHFFFAOYSA-N
MW372.67 g/mol
LogP4.75
Rot. Bonds5

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

1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine (PubChem CID 107946710) has the molecular formula C16H16BrClFNO and a molecular weight of 372.67 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
PubChem CID107946710
Molecular FormulaC16H16BrClFNO
Molecular Weight372.67 g/mol
Exact Mass371.01
IUPAC Name1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(OC)c1F)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C16H16BrClFNO/c1-20-14(11-6-12(17)9-13(18)7-11)8-10-4-3-5-15(21-2)16(10)19/h3-7,9,14,20H,8H2,1-2H3
InChIKeyMQZWMLMVTBYQMI-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-(3-chloro-5-methylphenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 105035700
1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 107946711
1-(3-bromo-5-chlorophenyl)-2-(5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 107945511
1-(3-bromo-5-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 66424639
1-(3-bromo-5-chlorophenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 107945139
1-(3-bromo-5-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 107946919
1-(3-bromo-5-chlorophenyl)-2-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 107946978
[1-(3-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine
CID 105194806
1-(3-bromo-5-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)-N-methylethanamine
CID 66426032
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-thiophen-3-ylethanamine
CID 113453772
1-(2,3-dichlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 105035564
2-(2-fluoro-3-methoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine
CID 105035474

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine (CID 107946710) is 1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine is CNC(Cc1cccc(OC)c1F)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine?
The InChIKey is MQZWMLMVTBYQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFNO/c1-20-14(11-6-12(17)9-13(18)7-11)8-10-4-3-5-15(21-2)16(10)19/h3-7,9,14,20H,8H2,1-2H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine?
1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-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 1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 107946710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).