1-(5-bromo-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-ethylethanamine

C19H24BrN — CID 105024448

IUPAC1-(5-bromo-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1c(C)cccc1C)c1cc(Br)ccc1C
InChIInChI=1S/C19H24BrN/c1-5-21-19(18-11-16(20)10-9-15(18)4)12-17-13(2)7-6-8-14(17)3/h6-11,19,21H,5,12H2,1-4H3
InChIKeyDWKBISJPLHAVRM-UHFFFAOYSA-N
MW346.31 g/mol
LogP5.27
Rot. Bonds5

About 1-(5-bromo-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-ethylethanamine

1-(5-bromo-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-ethylethanamine (PubChem CID 105024448) has the molecular formula C19H24BrN and a molecular weight of 346.31 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-ethylethanamine
PubChem CID105024448
Molecular FormulaC19H24BrN
Molecular Weight346.31 g/mol
Exact Mass345.11
IUPAC Name1-(5-bromo-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1c(C)cccc1C)c1cc(Br)ccc1C
InChIInChI=1S/C19H24BrN/c1-5-21-19(18-11-16(20)10-9-15(18)4)12-17-13(2)7-6-8-14(17)3/h6-11,19,21H,5,12H2,1-4H3
InChIKeyDWKBISJPLHAVRM-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.31
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-methylphenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105050998
2-(3-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 60819413
1-(5-bromo-2-methylphenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine
CID 65306974
1-(5-bromo-2-methylphenyl)-2-ethoxy-N-ethylethanamine
CID 105007898
1-(5-bromo-2-methylphenyl)-N-ethylhex-5-yn-1-amine
CID 105033738
1-(5-bromo-2-methylphenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 115820342
2-(4-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 60820542
2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 63415329
2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990001
1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 63526896
1-(5-bromo-2-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009162
2-(2,6-dimethylphenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-ethylethanamine
CID 105174594

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-ethylethanamine?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-ethylethanamine (CID 105024448) is 1-(5-bromo-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-ethylethanamine?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-ethylethanamine is CCNC(Cc1c(C)cccc1C)c1cc(Br)ccc1C.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-ethylethanamine?
The InChIKey is DWKBISJPLHAVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN/c1-5-21-19(18-11-16(20)10-9-15(18)4)12-17-13(2)7-6-8-14(17)3/h6-11,19,21H,5,12H2,1-4H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-ethylethanamine?
1-(5-bromo-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-ethylethanamine has a molecular weight of 346.31 g/mol, XLogP of 5.27, 5 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-(2,6-dimethylphenyl)-N-ethylethanamine is sourced from PubChem (CID 105024448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).