N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylaniline

C17H21NO2 — CID 775191

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylaniline
SMILESCOc1ccc(CNc2cc(C)ccc2C)c(OC)c1
InChIInChI=1S/C17H21NO2/c1-12-5-6-13(2)16(9-12)18-11-14-7-8-15(19-3)10-17(14)20-4/h5-10,18H,11H2,1-4H3
InChIKeyUQCOOEPEBSXJDB-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.93
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylaniline

N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylaniline (PubChem CID 775191) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylaniline.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylaniline
PubChem CID775191
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylaniline
SMILESCOc1ccc(CNc2cc(C)ccc2C)c(OC)c1
InChIInChI=1S/C17H21NO2/c1-12-5-6-13(2)16(9-12)18-11-14-7-8-15(19-3)10-17(14)20-4/h5-10,18H,11H2,1-4H3
InChIKeyUQCOOEPEBSXJDB-UHFFFAOYSA-N
XLogP3.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,5-dimethylanilino)methyl]-5-methoxyphenol
CID 61267847
2-[(2,4-dimethoxyphenyl)methylamino]-4-methylbenzonitrile
CID 63362795
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline
CID 775457
N-[(2,4-dimethoxyphenyl)methyl]-2,3,5-trimethylaniline;N-[(2,4-dimethoxyphenyl)methyl]-2,3,6-trimethylaniline;N-[(2,4-dimethoxyphenyl)methyl]-2,4,5-trimethylaniline;ethane
CID 161122136
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 94639909
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
N-[(2,4-dimethoxyphenyl)methyl]-3-iodo-4-methylaniline
CID 43716144
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline
CID 61061133
N-[3-(4-methoxyphenoxy)propyl]-2,5-dimethylaniline
CID 82095922
2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]aniline
CID 43736641
[2-[(2,4-dimethoxyphenyl)methylamino]phenyl]methanol
CID 43743131

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylaniline?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylaniline (CID 775191) is N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylaniline.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylaniline?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylaniline is COc1ccc(CNc2cc(C)ccc2C)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylaniline?
The InChIKey is UQCOOEPEBSXJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-5-6-13(2)16(9-12)18-11-14-7-8-15(19-3)10-17(14)20-4/h5-10,18H,11H2,1-4H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylaniline?
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylaniline has a molecular weight of 271.36 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylaniline is sourced from PubChem (CID 775191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).