4,5-dimethoxy-N-(2-methoxyethyl)-2-methylaniline

C12H19NO3 — CID 98783881

IUPAC4,5-dimethoxy-N-(2-methoxyethyl)-2-methylaniline
SMILESCOCCNc1cc(OC)c(OC)cc1C
InChIInChI=1S/C12H19NO3/c1-9-7-11(15-3)12(16-4)8-10(9)13-5-6-14-2/h7-8,13H,5-6H2,1-4H3
InChIKeyJHEDTXQNBCXVEB-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.07
Rot. Bonds6

About 4,5-dimethoxy-N-(2-methoxyethyl)-2-methylaniline

4,5-dimethoxy-N-(2-methoxyethyl)-2-methylaniline (PubChem CID 98783881) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4,5-dimethoxy-N-(2-methoxyethyl)-2-methylaniline.

Molecular Properties

Compound Name4,5-dimethoxy-N-(2-methoxyethyl)-2-methylaniline
PubChem CID98783881
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name4,5-dimethoxy-N-(2-methoxyethyl)-2-methylaniline
SMILESCOCCNc1cc(OC)c(OC)cc1C
InChIInChI=1S/C12H19NO3/c1-9-7-11(15-3)12(16-4)8-10(9)13-5-6-14-2/h7-8,13H,5-6H2,1-4H3
InChIKeyJHEDTXQNBCXVEB-UHFFFAOYSA-N
XLogP2.07
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-hexyl-4,5-dimethoxy-2-methylaniline
CID 43228540
4,5-dimethoxy-N-(2-methoxyethyl)-2-nitroaniline
CID 83008459
1-(4,5-dimethoxy-2-methylanilino)-2-methylpropan-2-ol
CID 115136773
5-bromo-N-(2-methoxyethyl)-2-methylaniline
CID 43806040
N-(2-ethylbutyl)-4,5-dimethoxy-2-methylaniline
CID 43716743
4,5-dimethoxy-N-(1-methoxypropan-2-yl)-2-methylaniline
CID 55086474
1-(4,5-dimethoxy-2-methylanilino)propan-2-one
CID 115234469
N-benzyl-4,5-dimethoxy-2-methylaniline
CID 43230212
5-ethyl-2-methoxy-N-(2-methoxyethyl)aniline
CID 98783313
N-[(3,5-dichlorophenyl)methyl]-4,5-dimethoxy-2-methylaniline
CID 60789912
2,5-dichloro-N-(2-methoxyethyl)-4-methylaniline
CID 104726849
N-(2-chloroethyl)-2-methoxy-4,5-dimethylaniline
CID 115214578

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-N-(2-methoxyethyl)-2-methylaniline?
The IUPAC name of 4,5-dimethoxy-N-(2-methoxyethyl)-2-methylaniline (CID 98783881) is 4,5-dimethoxy-N-(2-methoxyethyl)-2-methylaniline.
What is the SMILES notation for 4,5-dimethoxy-N-(2-methoxyethyl)-2-methylaniline?
The canonical SMILES for 4,5-dimethoxy-N-(2-methoxyethyl)-2-methylaniline is COCCNc1cc(OC)c(OC)cc1C.
What is the InChIKey of 4,5-dimethoxy-N-(2-methoxyethyl)-2-methylaniline?
The InChIKey is JHEDTXQNBCXVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9-7-11(15-3)12(16-4)8-10(9)13-5-6-14-2/h7-8,13H,5-6H2,1-4H3.
What are the key properties of 4,5-dimethoxy-N-(2-methoxyethyl)-2-methylaniline?
4,5-dimethoxy-N-(2-methoxyethyl)-2-methylaniline has a molecular weight of 225.29 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-N-(2-methoxyethyl)-2-methylaniline is sourced from PubChem (CID 98783881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).