1-(4-ethylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine

C20H27N — CID 43221514

IUPAC1-(4-ethylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
SMILESCCc1ccc(C(C)NCc2cc(C)c(C)cc2C)cc1
InChIInChI=1S/C20H27N/c1-6-18-7-9-19(10-8-18)17(5)21-13-20-12-15(3)14(2)11-16(20)4/h7-12,17,21H,6,13H2,1-5H3
InChIKeyRTLGTKQSWXQJBW-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.03
Rot. Bonds5

About 1-(4-ethylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine

1-(4-ethylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine (PubChem CID 43221514) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
PubChem CID43221514
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name1-(4-ethylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
SMILESCCc1ccc(C(C)NCc2cc(C)c(C)cc2C)cc1
InChIInChI=1S/C20H27N/c1-6-18-7-9-19(10-8-18)17(5)21-13-20-12-15(3)14(2)11-16(20)4/h7-12,17,21H,6,13H2,1-5H3
InChIKeyRTLGTKQSWXQJBW-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(4-bromophenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 81360176
(1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 81352293
(1R)-N-[(4-ethylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81350057
2-[[1-(4-ethylphenyl)ethylamino]methyl]-4-methylphenol
CID 63327164
N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43221510
N-[(4-ethylphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 106899436
1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
CID 60658167
N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 43078764
N-[(3,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43221490
1-(4-imidazol-1-ylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 55378386
(1S)-1-(4-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 95901161
1-(3,4-dimethylphenyl)-N-[(2-ethylphenyl)methyl]ethanamine
CID 64683038

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine?
The IUPAC name of 1-(4-ethylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine (CID 43221514) is 1-(4-ethylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(4-ethylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine is CCc1ccc(C(C)NCc2cc(C)c(C)cc2C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine?
The InChIKey is RTLGTKQSWXQJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-6-18-7-9-19(10-8-18)17(5)21-13-20-12-15(3)14(2)11-16(20)4/h7-12,17,21H,6,13H2,1-5H3.
What are the key properties of 1-(4-ethylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine?
1-(4-ethylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine has a molecular weight of 281.44 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 43221514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).