1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine

C15H13BrCl2FN — CID 107992572

IUPAC1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1Cl)c1ccc(Cl)cc1Br
InChIInChI=1S/C15H13BrCl2FN/c1-20-15(12-5-3-10(17)7-13(12)16)6-9-2-4-11(19)8-14(9)18/h2-5,7-8,15,20H,6H2,1H3
InChIKeyPTTJKVIEWSBWIS-UHFFFAOYSA-N
MW377.08 g/mol
LogP5.40
Rot. Bonds4

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

1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine (PubChem CID 107992572) has the molecular formula C15H13BrCl2FN and a molecular weight of 377.08 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
PubChem CID107992572
Molecular FormulaC15H13BrCl2FN
Molecular Weight377.08 g/mol
Exact Mass374.96
IUPAC Name1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1Cl)c1ccc(Cl)cc1Br
InChIInChI=1S/C15H13BrCl2FN/c1-20-15(12-5-3-10(17)7-13(12)16)6-9-2-4-11(19)8-14(9)18/h2-5,7-8,15,20H,6H2,1H3
InChIKeyPTTJKVIEWSBWIS-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-4-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 107995550
1-(4-bromo-2-fluorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 114906319
1-(2-bromo-4-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839964
1-(2-bromo-4-chlorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 107988832
1-(4-bromothiophen-3-yl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 79595107
2-(2-bromo-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 115843490
2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107947073
1-(4-chloro-2-fluorophenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 63081771
2-(2-chloro-4-fluorophenyl)-1-(2,3-difluorophenyl)-N-methylethanamine
CID 63987777
2-(2-bromophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 63420196
[1-(2-bromo-4-chlorophenyl)-2-(2,4-difluorophenyl)ethyl]hydrazine
CID 107996803
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 105037649

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine (CID 107992572) is 1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine is CNC(Cc1ccc(F)cc1Cl)c1ccc(Cl)cc1Br.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine?
The InChIKey is PTTJKVIEWSBWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2FN/c1-20-15(12-5-3-10(17)7-13(12)16)6-9-2-4-11(19)8-14(9)18/h2-5,7-8,15,20H,6H2,1H3.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine?
1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)-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-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 107992572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).