1-(5-bromo-2-methylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine

C16H16BrCl2N — CID 107312321

IUPAC1-(5-bromo-2-methylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1Cl)c1cc(Br)ccc1C
InChIInChI=1S/C16H16BrCl2N/c1-10-6-7-12(17)9-13(10)15(20-2)8-11-4-3-5-14(18)16(11)19/h3-7,9,15,20H,8H2,1-2H3
InChIKeyKISZYGMFRCOANL-UHFFFAOYSA-N
MW373.12 g/mol
LogP5.57
Rot. Bonds4

About 1-(5-bromo-2-methylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine

1-(5-bromo-2-methylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine (PubChem CID 107312321) has the molecular formula C16H16BrCl2N and a molecular weight of 373.12 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine
PubChem CID107312321
Molecular FormulaC16H16BrCl2N
Molecular Weight373.12 g/mol
Exact Mass370.98
IUPAC Name1-(5-bromo-2-methylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1Cl)c1cc(Br)ccc1C
InChIInChI=1S/C16H16BrCl2N/c1-10-6-7-12(17)9-13(10)15(20-2)8-11-4-3-5-14(18)16(11)19/h3-7,9,15,20H,8H2,1-2H3
InChIKeyKISZYGMFRCOANL-UHFFFAOYSA-N
XLogP5.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.12
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dibromophenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine
CID 107947209
1-(4-bromo-3,5-dimethylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine
CID 107309145
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 114894692
1-(4-bromo-2-chlorophenyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 63527757
2-(2,3-dichlorophenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 107312240
1-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 55223564
1-(5-bromo-2-chlorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830664
2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine
CID 115787187
1-(5-bromo-2-methylphenyl)-2-(4-chloro-3-fluorophenyl)-N-methylethanamine
CID 107892554
1-(5-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 61066107
1-(5-bromo-2-methoxyphenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 43480061
1-(4-bromo-2-chlorophenyl)-2-(2-bromophenyl)-N-methylethanamine
CID 115786767

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine (CID 107312321) is 1-(5-bromo-2-methylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine is CNC(Cc1cccc(Cl)c1Cl)c1cc(Br)ccc1C.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine?
The InChIKey is KISZYGMFRCOANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrCl2N/c1-10-6-7-12(17)9-13(10)15(20-2)8-11-4-3-5-14(18)16(11)19/h3-7,9,15,20H,8H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine?
1-(5-bromo-2-methylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine has a molecular weight of 373.12 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine is sourced from PubChem (CID 107312321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).