1-(4-bromo-2-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine

C19H24BrN — CID 63527968

IUPAC1-(4-bromo-2-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(C)ccc1C)c1ccc(Br)cc1C
InChIInChI=1S/C19H24BrN/c1-5-21-19(18-9-8-17(20)11-15(18)4)12-16-10-13(2)6-7-14(16)3/h6-11,19,21H,5,12H2,1-4H3
InChIKeyZWAMQWZKIHZBID-UHFFFAOYSA-N
MW346.31 g/mol
LogP5.27
Rot. Bonds5

About 1-(4-bromo-2-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine

1-(4-bromo-2-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine (PubChem CID 63527968) has the molecular formula C19H24BrN and a molecular weight of 346.31 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
PubChem CID63527968
Molecular FormulaC19H24BrN
Molecular Weight346.31 g/mol
Exact Mass345.11
IUPAC Name1-(4-bromo-2-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(C)ccc1C)c1ccc(Br)cc1C
InChIInChI=1S/C19H24BrN/c1-5-21-19(18-9-8-17(20)11-15(18)4)12-16-10-13(2)6-7-14(16)3/h6-11,19,21H,5,12H2,1-4H3
InChIKeyZWAMQWZKIHZBID-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-(4-bromo-2-methylphenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106867000
1-(2,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 43489975
1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 105010523
1-(4-bromo-2-methylphenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839880
N-[1-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63526553
1-(4-bromo-2-methylphenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 63527393
2-(2-bromo-5-fluorophenyl)-1-(2,4-dimethylphenyl)-N-ethylethanamine
CID 115843807
1-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63508884
2-(4-bromo-2-chlorophenyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine
CID 105037902
1-(4-bromo-2-methylphenyl)-N-ethylbut-3-yn-1-amine
CID 114976919
N-[(2,5-dibromophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 43489703
1-(5-bromo-2-methylphenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105050998

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine (CID 63527968) is 1-(4-bromo-2-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine is CCNC(Cc1cc(C)ccc1C)c1ccc(Br)cc1C.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine?
The InChIKey is ZWAMQWZKIHZBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN/c1-5-21-19(18-9-8-17(20)11-15(18)4)12-16-10-13(2)6-7-14(16)3/h6-11,19,21H,5,12H2,1-4H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine?
1-(4-bromo-2-methylphenyl)-2-(2,5-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-(4-bromo-2-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine is sourced from PubChem (CID 63527968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).