N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline

C23H24N2O4 — CID 126141319

IUPACN-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
SMILESCOc1cc(CNc2ccc(C)cc2C)ccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H24N2O4/c1-16-4-10-21(17(2)12-16)24-14-19-7-11-22(23(13-19)28-3)29-15-18-5-8-20(9-6-18)25(26)27/h4-13,24H,14-15H2,1-3H3
InChIKeyQTLNOCSKAYFXSV-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.41
Rot. Bonds8

About N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline

N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline (PubChem CID 126141319) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
PubChem CID126141319
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC NameN-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
SMILESCOc1cc(CNc2ccc(C)cc2C)ccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H24N2O4/c1-16-4-10-21(17(2)12-16)24-14-19-7-11-22(23(13-19)28-3)29-15-18-5-8-20(9-6-18)25(26)27/h4-13,24H,14-15H2,1-3H3
InChIKeyQTLNOCSKAYFXSV-UHFFFAOYSA-N
XLogP5.41
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-3-methylaniline
CID 126128630
4-ethoxy-N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]aniline
CID 126121890
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2,4-dimethylaniline
CID 126120336
(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enamide
CID 99881815
2-methyl-4-nitro-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
CID 71894202
N-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline
CID 126134530
N-[[3-chloro-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126122048
2-(2,4-dimethylphenyl)-N-[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 133145340
N-[(4-butoxy-3-methoxyphenyl)methyl]-2,4-dinitroaniline
CID 46762297
N-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126120045
4-[(2-methoxy-4-methylphenoxy)methyl]-2-nitroaniline
CID 62195314
2,5-dimethyl-N-[(4-nitrophenyl)methyl]aniline
CID 1133059

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline?
The IUPAC name of N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline (CID 126141319) is N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline.
What is the SMILES notation for N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline?
The canonical SMILES for N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline is COc1cc(CNc2ccc(C)cc2C)ccc1OCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline?
The InChIKey is QTLNOCSKAYFXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-16-4-10-21(17(2)12-16)24-14-19-7-11-22(23(13-19)28-3)29-15-18-5-8-20(9-6-18)25(26)27/h4-13,24H,14-15H2,1-3H3.
What are the key properties of N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline?
N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline has a molecular weight of 392.46 g/mol, XLogP of 5.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline is sourced from PubChem (CID 126141319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).