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

C15H14BrCl2N — CID 107945139

IUPAC1-(3-bromo-5-chlorophenyl)-2-(2-chlorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1Cl)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C15H14BrCl2N/c1-19-15(8-10-4-2-3-5-14(10)18)11-6-12(16)9-13(17)7-11/h2-7,9,15,19H,8H2,1H3
InChIKeyRJHWWPSCOMFPAU-UHFFFAOYSA-N
MW359.09 g/mol
LogP5.26
Rot. Bonds4

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

1-(3-bromo-5-chlorophenyl)-2-(2-chlorophenyl)-N-methylethanamine (PubChem CID 107945139) has the molecular formula C15H14BrCl2N and a molecular weight of 359.09 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-2-(2-chlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-2-(2-chlorophenyl)-N-methylethanamine
PubChem CID107945139
Molecular FormulaC15H14BrCl2N
Molecular Weight359.09 g/mol
Exact Mass356.97
IUPAC Name1-(3-bromo-5-chlorophenyl)-2-(2-chlorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1Cl)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C15H14BrCl2N/c1-19-15(8-10-4-2-3-5-14(10)18)11-6-12(16)9-13(17)7-11/h2-7,9,15,19H,8H2,1H3
InChIKeyRJHWWPSCOMFPAU-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.09
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(3-bromo-5-chlorophenyl)-2-(2-chlorophenyl)ethyl]hydrazine
CID 114019513
1-(3-bromo-5-chlorophenyl)-N-methyl-2-phenylethanamine
CID 114019196
1-(3-bromo-5-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 107955239
2-(4-bromo-2-chlorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine
CID 105037983
1-(3-bromo-5-chlorophenyl)-2-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 107946978
1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 107946710
1-(3-bromo-5-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 107946919
N-[2-(2-chlorophenyl)-1-(3,5-dibromophenyl)ethyl]propan-1-amine
CID 107973808
1-(3-bromo-5-chlorophenyl)-2-(5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 107945511
1-(3-bromo-5-chlorophenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 107945076
1-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 55223564
2-(4-bromo-2-fluorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine
CID 115844724

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-(2-chlorophenyl)-N-methylethanamine?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-(2-chlorophenyl)-N-methylethanamine (CID 107945139) is 1-(3-bromo-5-chlorophenyl)-2-(2-chlorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-2-(2-chlorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-2-(2-chlorophenyl)-N-methylethanamine is CNC(Cc1ccccc1Cl)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-2-(2-chlorophenyl)-N-methylethanamine?
The InChIKey is RJHWWPSCOMFPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2N/c1-19-15(8-10-4-2-3-5-14(10)18)11-6-12(16)9-13(17)7-11/h2-7,9,15,19H,8H2,1H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-2-(2-chlorophenyl)-N-methylethanamine?
1-(3-bromo-5-chlorophenyl)-2-(2-chlorophenyl)-N-methylethanamine has a molecular weight of 359.09 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)-2-(2-chlorophenyl)-N-methylethanamine is sourced from PubChem (CID 107945139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).