N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline

C17H21NO2 — CID 775457

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

About N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline

N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline (PubChem CID 775457) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline
PubChem CID775457
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline
SMILESCOc1ccc(CNc2ccc(C)c(C)c2)c(OC)c1
InChIInChI=1S/C17H21NO2/c1-12-5-7-15(9-13(12)2)18-11-14-6-8-16(19-3)10-17(14)20-4/h5-10,18H,11H2,1-4H3
InChIKeyDAGMXDCZADSPCD-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

N-[(2,4-dimethoxyphenyl)methyl]-3-iodo-4-methylaniline
CID 43716144
N-[(2,5-dimethoxyphenyl)methyl]-3,4-dimethylaniline
CID 791602
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethoxyaniline
CID 39427091
N-[(4-methoxyphenyl)methyl]-3,4-dimethylaniline
CID 775241
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylaniline
CID 775191
3-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,3-diamine
CID 63363029
N-[(2,4-dimethoxyphenyl)methyl]-1H-indol-5-amine
CID 28662205
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
1-N-[(2,4-dimethoxyphenyl)methyl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 39456816
N-[(2,4-dimethoxyphenyl)methyl]dibenzofuran-3-amine
CID 2981208
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxy-4-methylphenyl)methanamine
CID 122598505

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline (CID 775457) is N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline is COc1ccc(CNc2ccc(C)c(C)c2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline?
The InChIKey is DAGMXDCZADSPCD-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)10-17(14)20-4/h5-10,18H,11H2,1-4H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline?
N-[(2,4-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-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline is sourced from PubChem (CID 775457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).