2-(4-bromo-2-chlorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine

C16H16BrClFNO — CID 105037879

IUPAC2-(4-bromo-2-chlorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1Cl)c1ccc(F)c(OC)c1
InChIInChI=1S/C16H16BrClFNO/c1-20-15(7-10-3-5-12(17)9-13(10)18)11-4-6-14(19)16(8-11)21-2/h3-6,8-9,15,20H,7H2,1-2H3
InChIKeyJXSXJFCEMCZMKS-UHFFFAOYSA-N
MW372.67 g/mol
LogP4.75
Rot. Bonds5

About 2-(4-bromo-2-chlorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine

2-(4-bromo-2-chlorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine (PubChem CID 105037879) has the molecular formula C16H16BrClFNO and a molecular weight of 372.67 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
PubChem CID105037879
Molecular FormulaC16H16BrClFNO
Molecular Weight372.67 g/mol
Exact Mass371.01
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1Cl)c1ccc(F)c(OC)c1
InChIInChI=1S/C16H16BrClFNO/c1-20-15(7-10-3-5-12(17)9-13(10)18)11-4-6-14(19)16(8-11)21-2/h3-6,8-9,15,20H,7H2,1-2H3
InChIKeyJXSXJFCEMCZMKS-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

2-(4-bromophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 81284038
2-(3-chloro-4-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 115984888
2-(4-bromo-2-chlorophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine
CID 105037702
2-(5-bromo-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 63414513
2-(2-bromophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 115787208
2-(2,4-difluorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 81288701
2-(4-bromo-2-chlorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine
CID 105037983
2-(5-bromo-3-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 105036812
2-(2,4-dichlorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 63412888
1-(3-bromo-4-chlorophenyl)-2-(5-bromo-2-fluorophenyl)-N-methylethanamine
CID 115567161
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3,4-difluorophenyl)-N-methylethanamine
CID 107538920
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 105037649

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine (CID 105037879) is 2-(4-bromo-2-chlorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine is CNC(Cc1ccc(Br)cc1Cl)c1ccc(F)c(OC)c1.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine?
The InChIKey is JXSXJFCEMCZMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFNO/c1-20-15(7-10-3-5-12(17)9-13(10)18)11-4-6-14(19)16(8-11)21-2/h3-6,8-9,15,20H,7H2,1-2H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine?
2-(4-bromo-2-chlorophenyl)-1-(4-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 2-(4-bromo-2-chlorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 105037879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).