1-(4-bromo-3,5-dimethylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine

C17H18BrCl2N — CID 107309145

IUPAC1-(4-bromo-3,5-dimethylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1Cl)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C17H18BrCl2N/c1-10-7-13(8-11(2)16(10)18)15(21-3)9-12-5-4-6-14(19)17(12)20/h4-8,15,21H,9H2,1-3H3
InChIKeyNQTBNKSKUJTSOW-UHFFFAOYSA-N
MW387.15 g/mol
LogP5.88
Rot. Bonds4

About 1-(4-bromo-3,5-dimethylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine

1-(4-bromo-3,5-dimethylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine (PubChem CID 107309145) has the molecular formula C17H18BrCl2N and a molecular weight of 387.15 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine
PubChem CID107309145
Molecular FormulaC17H18BrCl2N
Molecular Weight387.15 g/mol
Exact Mass385.00
IUPAC Name1-(4-bromo-3,5-dimethylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1Cl)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C17H18BrCl2N/c1-10-7-13(8-11(2)16(10)18)15(21-3)9-12-5-4-6-14(19)17(12)20/h4-8,15,21H,9H2,1-3H3
InChIKeyNQTBNKSKUJTSOW-UHFFFAOYSA-N
XLogP5.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.15
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 114330396
1-(5-bromo-2-methylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine
CID 107312321
2-(2,3-dichlorophenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 107312240
1-(2,4-dibromophenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine
CID 107947209
2-(2,3-dichlorophenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine
CID 107312247
1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-difluorophenyl)-N-methylethanamine
CID 114932751
[1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)ethyl]hydrazine
CID 105279419
2-(2,3-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine
CID 107311946
1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-fluorophenyl)-N-methylethanamine
CID 114330377
1-(3-bromo-5-chlorophenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 107945139
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 114330447
2-(2,3-dichlorophenyl)-1-(furan-2-yl)-N-methylethanamine
CID 107308555

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine?
The IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine (CID 107309145) is 1-(4-bromo-3,5-dimethylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(4-bromo-3,5-dimethylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine is CNC(Cc1cccc(Cl)c1Cl)c1cc(C)c(Br)c(C)c1.
What is the InChIKey of 1-(4-bromo-3,5-dimethylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine?
The InChIKey is NQTBNKSKUJTSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrCl2N/c1-10-7-13(8-11(2)16(10)18)15(21-3)9-12-5-4-6-14(19)17(12)20/h4-8,15,21H,9H2,1-3H3.
What are the key properties of 1-(4-bromo-3,5-dimethylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine?
1-(4-bromo-3,5-dimethylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine has a molecular weight of 387.15 g/mol, XLogP of 5.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine is sourced from PubChem (CID 107309145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).