4-(4-amino-3-methylphenyl)-2-methylaniline;3-(3-aminophenyl)aniline;ethoxyethane

C34H48N4O2 — CID 67899079

IUPAC4-(4-amino-3-methylphenyl)-2-methylaniline;3-(3-aminophenyl)aniline;ethoxyethane
SMILESCCOCC.CCOCC.Cc1cc(-c2ccc(N)c(C)c2)ccc1N.Nc1cccc(-c2cccc(N)c2)c1
InChIInChI=1S/C14H16N2.C12H12N2.2C4H10O/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12;13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10;2*1-3-5-4-2/h3-8H,15-16H2,1-2H3;1-8H,13-14H2;2*3-4H2,1-2H3
InChIKeyIEIACHADRNJYCL-UHFFFAOYSA-N
MW544.78 g/mol
LogP7.74
Rot. Bonds6

About 4-(4-amino-3-methylphenyl)-2-methylaniline;3-(3-aminophenyl)aniline;ethoxyethane

4-(4-amino-3-methylphenyl)-2-methylaniline;3-(3-aminophenyl)aniline;ethoxyethane (PubChem CID 67899079) has the molecular formula C34H48N4O2 and a molecular weight of 544.78 g/mol. Its IUPAC name is 4-(4-amino-3-methylphenyl)-2-methylaniline;3-(3-aminophenyl)aniline;ethoxyethane.

Molecular Properties

Compound Name4-(4-amino-3-methylphenyl)-2-methylaniline;3-(3-aminophenyl)aniline;ethoxyethane
PubChem CID67899079
Molecular FormulaC34H48N4O2
Molecular Weight544.78 g/mol
Exact Mass544.38
IUPAC Name4-(4-amino-3-methylphenyl)-2-methylaniline;3-(3-aminophenyl)aniline;ethoxyethane
SMILESCCOCC.CCOCC.Cc1cc(-c2ccc(N)c(C)c2)ccc1N.Nc1cccc(-c2cccc(N)c2)c1
InChIInChI=1S/C14H16N2.C12H12N2.2C4H10O/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12;13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10;2*1-3-5-4-2/h3-8H,15-16H2,1-2H3;1-8H,13-14H2;2*3-4H2,1-2H3
InChIKeyIEIACHADRNJYCL-UHFFFAOYSA-N
XLogP7.74
TPSA122.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.78
LogP ≤ 57.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methylphenyl)-2-methylaniline;3-(3-aminophenyl)aniline;ethoxyethane?
The IUPAC name of 4-(4-amino-3-methylphenyl)-2-methylaniline;3-(3-aminophenyl)aniline;ethoxyethane (CID 67899079) is 4-(4-amino-3-methylphenyl)-2-methylaniline;3-(3-aminophenyl)aniline;ethoxyethane.
What is the SMILES notation for 4-(4-amino-3-methylphenyl)-2-methylaniline;3-(3-aminophenyl)aniline;ethoxyethane?
The canonical SMILES for 4-(4-amino-3-methylphenyl)-2-methylaniline;3-(3-aminophenyl)aniline;ethoxyethane is CCOCC.CCOCC.Cc1cc(-c2ccc(N)c(C)c2)ccc1N.Nc1cccc(-c2cccc(N)c2)c1.
What is the InChIKey of 4-(4-amino-3-methylphenyl)-2-methylaniline;3-(3-aminophenyl)aniline;ethoxyethane?
The InChIKey is IEIACHADRNJYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2.C12H12N2.2C4H10O/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12;13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10;2*1-3-5-4-2/h3-8H,15-16H2,1-2H3;1-8H,13-14H2;2*3-4H2,1-2H3.
What are the key properties of 4-(4-amino-3-methylphenyl)-2-methylaniline;3-(3-aminophenyl)aniline;ethoxyethane?
4-(4-amino-3-methylphenyl)-2-methylaniline;3-(3-aminophenyl)aniline;ethoxyethane has a molecular weight of 544.78 g/mol, XLogP of 7.74, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-methylphenyl)-2-methylaniline;3-(3-aminophenyl)aniline;ethoxyethane is sourced from PubChem (CID 67899079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).