N-ethyl-3,4-dimethoxy-2-methylaniline

C11H17NO2 — CID 143026741

IUPACN-ethyl-3,4-dimethoxy-2-methylaniline
SMILESCCNc1ccc(OC)c(OC)c1C
InChIInChI=1S/C11H17NO2/c1-5-12-9-6-7-10(13-3)11(14-4)8(9)2/h6-7,12H,5H2,1-4H3
InChIKeyBMWVWINFYMOFNV-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.44
Rot. Bonds4

About N-ethyl-3,4-dimethoxy-2-methylaniline

N-ethyl-3,4-dimethoxy-2-methylaniline (PubChem CID 143026741) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is N-ethyl-3,4-dimethoxy-2-methylaniline.

Molecular Properties

Compound NameN-ethyl-3,4-dimethoxy-2-methylaniline
PubChem CID143026741
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameN-ethyl-3,4-dimethoxy-2-methylaniline
SMILESCCNc1ccc(OC)c(OC)c1C
InChIInChI=1S/C11H17NO2/c1-5-12-9-6-7-10(13-3)11(14-4)8(9)2/h6-7,12H,5H2,1-4H3
InChIKeyBMWVWINFYMOFNV-UHFFFAOYSA-N
XLogP2.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(ethylamino)-2,6-dimethoxyphenol
CID 19389311
N-ethyl-2,3,6-trimethoxyaniline
CID 71236321
1-ethyl-3,4-dimethoxy-2-methylbenzene
CID 54293104
N-ethyl-2,3-difluoro-4-methoxyaniline;hydrochloride
CID 174514684
N'-(4-methoxy-2,3-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 115199816
1-N-ethyl-2-methoxybenzene-1,4-diamine
CID 23391843
N-(2-ethylbutyl)-3-methoxy-2,4-dimethylaniline
CID 43738989
N-ethyl-2-methoxy-4-methylsulfonylaniline
CID 170597285
N-(2,4-dimethoxy-3-methylphenyl)-2-oxoacetamide
CID 115165932
N-[(4-aminophenyl)methyl]-4-methoxy-2,3-dimethylaniline
CID 115212367
1-(3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-amine
CID 117320489
4-bromo-N-ethyl-2,5-dimethoxyaniline
CID 21117288

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4-dimethoxy-2-methylaniline?
The IUPAC name of N-ethyl-3,4-dimethoxy-2-methylaniline (CID 143026741) is N-ethyl-3,4-dimethoxy-2-methylaniline.
What is the SMILES notation for N-ethyl-3,4-dimethoxy-2-methylaniline?
The canonical SMILES for N-ethyl-3,4-dimethoxy-2-methylaniline is CCNc1ccc(OC)c(OC)c1C.
What is the InChIKey of N-ethyl-3,4-dimethoxy-2-methylaniline?
The InChIKey is BMWVWINFYMOFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-5-12-9-6-7-10(13-3)11(14-4)8(9)2/h6-7,12H,5H2,1-4H3.
What are the key properties of N-ethyl-3,4-dimethoxy-2-methylaniline?
N-ethyl-3,4-dimethoxy-2-methylaniline has a molecular weight of 195.26 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4-dimethoxy-2-methylaniline is sourced from PubChem (CID 143026741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).