N-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline

C17H21NO2 — CID 743644

IUPACN-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline
SMILESCOc1ccc(CNc2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C17H21NO2/c1-12-5-7-15(9-13(12)2)18-11-14-6-8-16(19-3)17(10-14)20-4/h5-10,18H,11H2,1-4H3
InChIKeyYYOONJRTGSVRSH-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.93
Rot. Bonds5

About N-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline

N-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline (PubChem CID 743644) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline
PubChem CID743644
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline
SMILESCOc1ccc(CNc2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C17H21NO2/c1-12-5-7-15(9-13(12)2)18-11-14-6-8-16(19-3)17(10-14)20-4/h5-10,18H,11H2,1-4H3
InChIKeyYYOONJRTGSVRSH-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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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline (CID 743644) is N-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline is COc1ccc(CNc2ccc(C)c(C)c2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline?
The InChIKey is YYOONJRTGSVRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-5-7-15(9-13(12)2)18-11-14-6-8-16(19-3)17(10-14)20-4/h5-10,18H,11H2,1-4H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline?
N-[(3,4-dimethoxyphenyl)methyl]-3,4-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-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline is sourced from PubChem (CID 743644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).