1-(2,5-dibromophenyl)-N-methyl-2-(4-methylphenyl)ethanamine

C16H17Br2N — CID 43482204

IUPAC1-(2,5-dibromophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
SMILESCNC(Cc1ccc(C)cc1)c1cc(Br)ccc1Br
InChIInChI=1S/C16H17Br2N/c1-11-3-5-12(6-4-11)9-16(19-2)14-10-13(17)7-8-15(14)18/h3-8,10,16,19H,9H2,1-2H3
InChIKeyBVANARQAUYGOIO-UHFFFAOYSA-N
MW383.13 g/mol
LogP5.02
Rot. Bonds4

About 1-(2,5-dibromophenyl)-N-methyl-2-(4-methylphenyl)ethanamine

1-(2,5-dibromophenyl)-N-methyl-2-(4-methylphenyl)ethanamine (PubChem CID 43482204) has the molecular formula C16H17Br2N and a molecular weight of 383.13 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-N-methyl-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
PubChem CID43482204
Molecular FormulaC16H17Br2N
Molecular Weight383.13 g/mol
Exact Mass380.97
IUPAC Name1-(2,5-dibromophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
SMILESCNC(Cc1ccc(C)cc1)c1cc(Br)ccc1Br
InChIInChI=1S/C16H17Br2N/c1-11-3-5-12(6-4-11)9-16(19-2)14-10-13(17)7-8-15(14)18/h3-8,10,16,19H,9H2,1-2H3
InChIKeyBVANARQAUYGOIO-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.13
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-5-methylphenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 81112448
1-(2,5-dibromophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844386
1-(2-bromo-5-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61065958
1-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61064541
2-(3-bromo-4-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine
CID 115818264
1-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 63529120
1-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 115830032
1-(2,4-dibromophenyl)-2-(4-ethylphenyl)-N-methylethanamine
CID 107945186
(2R)-2-(2,5-dibromophenyl)-2-(methylamino)ethanol
CID 131062673
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 114330447
1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43486882
2-(4-bromothiophen-2-yl)-1-(2,5-dibromophenyl)-N-methylethanamine
CID 115848058

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-N-methyl-2-(4-methylphenyl)ethanamine?
The IUPAC name of 1-(2,5-dibromophenyl)-N-methyl-2-(4-methylphenyl)ethanamine (CID 43482204) is 1-(2,5-dibromophenyl)-N-methyl-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 1-(2,5-dibromophenyl)-N-methyl-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 1-(2,5-dibromophenyl)-N-methyl-2-(4-methylphenyl)ethanamine is CNC(Cc1ccc(C)cc1)c1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromophenyl)-N-methyl-2-(4-methylphenyl)ethanamine?
The InChIKey is BVANARQAUYGOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2N/c1-11-3-5-12(6-4-11)9-16(19-2)14-10-13(17)7-8-15(14)18/h3-8,10,16,19H,9H2,1-2H3.
What are the key properties of 1-(2,5-dibromophenyl)-N-methyl-2-(4-methylphenyl)ethanamine?
1-(2,5-dibromophenyl)-N-methyl-2-(4-methylphenyl)ethanamine has a molecular weight of 383.13 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)-N-methyl-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 43482204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).