4-(2-ethoxyethoxy)-N-(4-methoxyphenyl)-2-methyl-N-phenylaniline

C24H27NO3 — CID 18996715

IUPAC4-(2-ethoxyethoxy)-N-(4-methoxyphenyl)-2-methyl-N-phenylaniline
SMILESCCOCCOc1ccc(N(c2ccccc2)c2ccc(OC)cc2)c(C)c1
InChIInChI=1S/C24H27NO3/c1-4-27-16-17-28-23-14-15-24(19(2)18-23)25(20-8-6-5-7-9-20)21-10-12-22(26-3)13-11-21/h5-15,18H,4,16-17H2,1-3H3
InChIKeyFXWNDBMMTJHDRK-UHFFFAOYSA-N
MW377.48 g/mol
LogP5.89
Rot. Bonds9

About 4-(2-ethoxyethoxy)-N-(4-methoxyphenyl)-2-methyl-N-phenylaniline

4-(2-ethoxyethoxy)-N-(4-methoxyphenyl)-2-methyl-N-phenylaniline (PubChem CID 18996715) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)-N-(4-methoxyphenyl)-2-methyl-N-phenylaniline.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)-N-(4-methoxyphenyl)-2-methyl-N-phenylaniline
PubChem CID18996715
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name4-(2-ethoxyethoxy)-N-(4-methoxyphenyl)-2-methyl-N-phenylaniline
SMILESCCOCCOc1ccc(N(c2ccccc2)c2ccc(OC)cc2)c(C)c1
InChIInChI=1S/C24H27NO3/c1-4-27-16-17-28-23-14-15-24(19(2)18-23)25(20-8-6-5-7-9-20)21-10-12-22(26-3)13-11-21/h5-15,18H,4,16-17H2,1-3H3
InChIKeyFXWNDBMMTJHDRK-UHFFFAOYSA-N
XLogP5.89
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethoxy)-N-(4-methoxyphenyl)-2-methyl-N-phenylaniline?
The IUPAC name of 4-(2-ethoxyethoxy)-N-(4-methoxyphenyl)-2-methyl-N-phenylaniline (CID 18996715) is 4-(2-ethoxyethoxy)-N-(4-methoxyphenyl)-2-methyl-N-phenylaniline.
What is the SMILES notation for 4-(2-ethoxyethoxy)-N-(4-methoxyphenyl)-2-methyl-N-phenylaniline?
The canonical SMILES for 4-(2-ethoxyethoxy)-N-(4-methoxyphenyl)-2-methyl-N-phenylaniline is CCOCCOc1ccc(N(c2ccccc2)c2ccc(OC)cc2)c(C)c1.
What is the InChIKey of 4-(2-ethoxyethoxy)-N-(4-methoxyphenyl)-2-methyl-N-phenylaniline?
The InChIKey is FXWNDBMMTJHDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-4-27-16-17-28-23-14-15-24(19(2)18-23)25(20-8-6-5-7-9-20)21-10-12-22(26-3)13-11-21/h5-15,18H,4,16-17H2,1-3H3.
What are the key properties of 4-(2-ethoxyethoxy)-N-(4-methoxyphenyl)-2-methyl-N-phenylaniline?
4-(2-ethoxyethoxy)-N-(4-methoxyphenyl)-2-methyl-N-phenylaniline has a molecular weight of 377.48 g/mol, XLogP of 5.89, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxy)-N-(4-methoxyphenyl)-2-methyl-N-phenylaniline is sourced from PubChem (CID 18996715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).