2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine

C19H24BrN — CID 64990001

IUPAC2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCCNC(Cc1cccc(Br)c1)c1cc(C)c(C)cc1C
InChIInChI=1S/C19H24BrN/c1-5-21-19(12-16-7-6-8-17(20)11-16)18-10-14(3)13(2)9-15(18)4/h6-11,19,21H,5,12H2,1-4H3
InChIKeyLZSQUHCWXNWJNC-UHFFFAOYSA-N
MW346.31 g/mol
LogP5.27
Rot. Bonds5

About 2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine

2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine (PubChem CID 64990001) has the molecular formula C19H24BrN and a molecular weight of 346.31 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine
PubChem CID64990001
Molecular FormulaC19H24BrN
Molecular Weight346.31 g/mol
Exact Mass345.11
IUPAC Name2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCCNC(Cc1cccc(Br)c1)c1cc(C)c(C)cc1C
InChIInChI=1S/C19H24BrN/c1-5-21-19(12-16-7-6-8-17(20)11-16)18-10-14(3)13(2)9-15(18)4/h6-11,19,21H,5,12H2,1-4H3
InChIKeyLZSQUHCWXNWJNC-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

2-(3-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 60819413
N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990255
2-(3-bromophenyl)-1-(2,5-dibromophenyl)-N-ethylethanamine
CID 63508792
2-(3-bromophenyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine
CID 63503341
2-(3-bromophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 63413364
1-(4-bromo-2-methylphenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 63527401
2-(3-bromophenyl)-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 60819247
1-(3-bromophenyl)-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine
CID 63413718
2-(4-chlorophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990147
2-(3-bromophenyl)-N-ethyl-1-thiophen-2-ylethanamine
CID 60818969
2-(3-bromophenyl)-N-ethyl-1-pyridazin-4-ylethanamine
CID 105089518
2-(3-bromophenyl)-1-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 105089739

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine (CID 64990001) is 2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine is CCNC(Cc1cccc(Br)c1)c1cc(C)c(C)cc1C.
What is the InChIKey of 2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine?
The InChIKey is LZSQUHCWXNWJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN/c1-5-21-19(12-16-7-6-8-17(20)11-16)18-10-14(3)13(2)9-15(18)4/h6-11,19,21H,5,12H2,1-4H3.
What are the key properties of 2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine?
2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine 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 2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine is sourced from PubChem (CID 64990001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).