4-[(4-aminophenyl)-(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylaniline

C24H28N2O — CID 14453077

IUPAC4-[(4-aminophenyl)-(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylaniline
SMILESCCOc1ccc(C(c2ccc(N)cc2)c2ccc(NC)c(C)c2)cc1C
InChIInChI=1S/C24H28N2O/c1-5-27-23-13-9-20(15-17(23)3)24(18-6-10-21(25)11-7-18)19-8-12-22(26-4)16(2)14-19/h6-15,24,26H,5,25H2,1-4H3
InChIKeyNVFSJOQDXZRDNH-UHFFFAOYSA-N
MW360.50 g/mol
LogP5.51
Rot. Bonds6

About 4-[(4-aminophenyl)-(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylaniline

4-[(4-aminophenyl)-(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylaniline (PubChem CID 14453077) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 4-[(4-aminophenyl)-(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylaniline.

Molecular Properties

Compound Name4-[(4-aminophenyl)-(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylaniline
PubChem CID14453077
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name4-[(4-aminophenyl)-(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylaniline
SMILESCCOc1ccc(C(c2ccc(N)cc2)c2ccc(NC)c(C)c2)cc1C
InChIInChI=1S/C24H28N2O/c1-5-27-23-13-9-20(15-17(23)3)24(18-6-10-21(25)11-7-18)19-8-12-22(26-4)16(2)14-19/h6-15,24,26H,5,25H2,1-4H3
InChIKeyNVFSJOQDXZRDNH-UHFFFAOYSA-N
XLogP5.51
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

CID 11501341
CID 11501341
CID 53257383
CID 53257383
CID 9951771
CID 9951771
CID 348623
CID 348623
CID 9999671
CID 9999671
CID 10021634
CID 10021634
CID 10068183
CID 10068183
CID 10070722
CID 10070722
CID 10071910
CID 10071910
CID 10247253
CID 10247253
CID 10316670
CID 10316670
CID 10342379
CID 10342379

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminophenyl)-(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylaniline?
The IUPAC name of 4-[(4-aminophenyl)-(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylaniline (CID 14453077) is 4-[(4-aminophenyl)-(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylaniline.
What is the SMILES notation for 4-[(4-aminophenyl)-(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylaniline?
The canonical SMILES for 4-[(4-aminophenyl)-(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylaniline is CCOc1ccc(C(c2ccc(N)cc2)c2ccc(NC)c(C)c2)cc1C.
What is the InChIKey of 4-[(4-aminophenyl)-(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylaniline?
The InChIKey is NVFSJOQDXZRDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-5-27-23-13-9-20(15-17(23)3)24(18-6-10-21(25)11-7-18)19-8-12-22(26-4)16(2)14-19/h6-15,24,26H,5,25H2,1-4H3.
What are the key properties of 4-[(4-aminophenyl)-(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylaniline?
4-[(4-aminophenyl)-(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylaniline has a molecular weight of 360.50 g/mol, XLogP of 5.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminophenyl)-(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylaniline is sourced from PubChem (CID 14453077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).