2,4-dimethoxy-N-(methoxymethyl)-N,6-dimethylaniline

C12H19NO3 — CID 115258433

IUPAC2,4-dimethoxy-N-(methoxymethyl)-N,6-dimethylaniline
SMILESCOCN(C)c1c(C)cc(OC)cc1OC
InChIInChI=1S/C12H19NO3/c1-9-6-10(15-4)7-11(16-5)12(9)13(2)8-14-3/h6-7H,8H2,1-5H3
InChIKeyBSXFUEHVGFUBAW-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.05
Rot. Bonds5

About 2,4-dimethoxy-N-(methoxymethyl)-N,6-dimethylaniline

2,4-dimethoxy-N-(methoxymethyl)-N,6-dimethylaniline (PubChem CID 115258433) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2,4-dimethoxy-N-(methoxymethyl)-N,6-dimethylaniline.

Molecular Properties

Compound Name2,4-dimethoxy-N-(methoxymethyl)-N,6-dimethylaniline
PubChem CID115258433
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2,4-dimethoxy-N-(methoxymethyl)-N,6-dimethylaniline
SMILESCOCN(C)c1c(C)cc(OC)cc1OC
InChIInChI=1S/C12H19NO3/c1-9-6-10(15-4)7-11(16-5)12(9)13(2)8-14-3/h6-7H,8H2,1-5H3
InChIKeyBSXFUEHVGFUBAW-UHFFFAOYSA-N
XLogP2.05
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethoxy-N,6-dimethylanilino)-2-methylpropan-2-ol
CID 115136932
2-amino-3-(2,4-dimethoxy-N,6-dimethylanilino)propan-1-ol
CID 115120475
3-chloro-6-methoxy-N-(methoxymethyl)-N,2,4-trimethylaniline
CID 115258379
N-(2,4-dimethoxy-6-methylphenyl)-N-methylcarbamoyl chloride
CID 115194561
1-N-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine
CID 115203758
1-[(2,4-dimethoxy-N,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile
CID 115242157
2-N-(2,4-dimethoxy-6-methylphenyl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138077
1,5-dimethoxy-2-(methoxymethyl)-3-methylbenzene
CID 116932273
3-N-methyl-3-N-(2,4,6-trimethoxyphenyl)propane-1,2,3-triamine
CID 115119574
N-(2,4-dimethoxy-6-methylphenyl)-4-hydroxy-N-methylbutanamide
CID 115162936
N-(bromomethyl)-2-methoxy-N,4,6-trimethylaniline
CID 115261763
4-N-(2,4-dimethoxy-6-methylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(2,4,6-trimethoxyphenyl)benzene-1,4-diamine
CID 134339163

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-(methoxymethyl)-N,6-dimethylaniline?
The IUPAC name of 2,4-dimethoxy-N-(methoxymethyl)-N,6-dimethylaniline (CID 115258433) is 2,4-dimethoxy-N-(methoxymethyl)-N,6-dimethylaniline.
What is the SMILES notation for 2,4-dimethoxy-N-(methoxymethyl)-N,6-dimethylaniline?
The canonical SMILES for 2,4-dimethoxy-N-(methoxymethyl)-N,6-dimethylaniline is COCN(C)c1c(C)cc(OC)cc1OC.
What is the InChIKey of 2,4-dimethoxy-N-(methoxymethyl)-N,6-dimethylaniline?
The InChIKey is BSXFUEHVGFUBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9-6-10(15-4)7-11(16-5)12(9)13(2)8-14-3/h6-7H,8H2,1-5H3.
What are the key properties of 2,4-dimethoxy-N-(methoxymethyl)-N,6-dimethylaniline?
2,4-dimethoxy-N-(methoxymethyl)-N,6-dimethylaniline has a molecular weight of 225.29 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-(methoxymethyl)-N,6-dimethylaniline is sourced from PubChem (CID 115258433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).