1-(2-bromo-3-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine

C15H13BrCl2FN — CID 115830097

IUPAC1-(2-bromo-3-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
SMILESCNC(Cc1c(Cl)cccc1Cl)c1cccc(F)c1Br
InChIInChI=1S/C15H13BrCl2FN/c1-20-14(9-4-2-7-13(19)15(9)16)8-10-11(17)5-3-6-12(10)18/h2-7,14,20H,8H2,1H3
InChIKeyCNWGOZLXELTYOO-UHFFFAOYSA-N
MW377.08 g/mol
LogP5.40
Rot. Bonds4

About 1-(2-bromo-3-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine

1-(2-bromo-3-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine (PubChem CID 115830097) has the molecular formula C15H13BrCl2FN and a molecular weight of 377.08 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
PubChem CID115830097
Molecular FormulaC15H13BrCl2FN
Molecular Weight377.08 g/mol
Exact Mass374.96
IUPAC Name1-(2-bromo-3-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
SMILESCNC(Cc1c(Cl)cccc1Cl)c1cccc(F)c1Br
InChIInChI=1S/C15H13BrCl2FN/c1-20-14(9-4-2-7-13(19)15(9)16)8-10-11(17)5-3-6-12(10)18/h2-7,14,20H,8H2,1H3
InChIKeyCNWGOZLXELTYOO-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.08
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032328
1-(4-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 63417950
1-(2-chloro-4,5-difluorophenyl)-2-(2-chloro-6-fluorophenyl)-N-methylethanamine
CID 107476331
2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-methylethanamine
CID 43486905
2-(2-chloro-6-fluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
CID 61079857
1-(5-bromo-2-chlorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830664
1-(2-bromo-3-fluorophenyl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 115801020
1-(2,4-dichlorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830438
1-(2-chloro-4,5-difluorophenyl)-2-(2,6-difluorophenyl)-N-methylethanamine
CID 107476197
1-(2,5-dibromothiophen-3-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 107968086
1-(2-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 107985356
1-(2-bromo-3,4-difluorophenyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 107538975

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine (CID 115830097) is 1-(2-bromo-3-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine is CNC(Cc1c(Cl)cccc1Cl)c1cccc(F)c1Br.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine?
The InChIKey is CNWGOZLXELTYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2FN/c1-20-14(9-4-2-7-13(19)15(9)16)8-10-11(17)5-3-6-12(10)18/h2-7,14,20H,8H2,1H3.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine?
1-(2-bromo-3-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine has a molecular weight of 377.08 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine is sourced from PubChem (CID 115830097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).