1-(2-bromo-5-methylphenyl)-2-(4-bromophenyl)-N-methylethanamine

C16H17Br2N — CID 81112448

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

About 1-(2-bromo-5-methylphenyl)-2-(4-bromophenyl)-N-methylethanamine

1-(2-bromo-5-methylphenyl)-2-(4-bromophenyl)-N-methylethanamine (PubChem CID 81112448) has the molecular formula C16H17Br2N and a molecular weight of 383.13 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-2-(4-bromophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-2-(4-bromophenyl)-N-methylethanamine
PubChem CID81112448
Molecular FormulaC16H17Br2N
Molecular Weight383.13 g/mol
Exact Mass380.97
IUPAC Name1-(2-bromo-5-methylphenyl)-2-(4-bromophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1)c1cc(C)ccc1Br
InChIInChI=1S/C16H17Br2N/c1-11-3-8-15(18)14(9-11)16(19-2)10-12-4-6-13(17)7-5-12/h3-9,16,19H,10H2,1-2H3
InChIKeyDOQCZCFLBYXIJU-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-(2,5-dibromophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43482204
1-(2-bromo-5-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61065958
1-(2,5-dibromophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844386
1-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61064541
2-(4-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 63413113
[1-(2-bromo-4-methylphenyl)-2-(4-bromophenyl)ethyl]hydrazine
CID 105284383
1-(2-bromo-5-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine
CID 81112647
2-(2-bromo-4-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-methylethanamine
CID 115843072
1-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 63529120
1-(2-bromo-5-methylphenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105014961
2-(3-bromo-4-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine
CID 115818264
1-(2,4-dibromophenyl)-2-(4-ethylphenyl)-N-methylethanamine
CID 107945186

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-2-(4-bromophenyl)-N-methylethanamine?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-2-(4-bromophenyl)-N-methylethanamine (CID 81112448) is 1-(2-bromo-5-methylphenyl)-2-(4-bromophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-2-(4-bromophenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-2-(4-bromophenyl)-N-methylethanamine is CNC(Cc1ccc(Br)cc1)c1cc(C)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-2-(4-bromophenyl)-N-methylethanamine?
The InChIKey is DOQCZCFLBYXIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2N/c1-11-3-8-15(18)14(9-11)16(19-2)10-12-4-6-13(17)7-5-12/h3-9,16,19H,10H2,1-2H3.
What are the key properties of 1-(2-bromo-5-methylphenyl)-2-(4-bromophenyl)-N-methylethanamine?
1-(2-bromo-5-methylphenyl)-2-(4-bromophenyl)-N-methylethanamine 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-bromo-5-methylphenyl)-2-(4-bromophenyl)-N-methylethanamine is sourced from PubChem (CID 81112448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).