4-ethoxy-3-methoxy-N-methylaniline

C10H15NO2 — CID 63089329

IUPAC4-ethoxy-3-methoxy-N-methylaniline
SMILESCCOc1ccc(NC)cc1OC
InChIInChI=1S/C10H15NO2/c1-4-13-9-6-5-8(11-2)7-10(9)12-3/h5-7,11H,4H2,1-3H3
InChIKeyWHCMQPBAOAKGSZ-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.14
Rot. Bonds4

About 4-ethoxy-3-methoxy-N-methylaniline

4-ethoxy-3-methoxy-N-methylaniline (PubChem CID 63089329) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 4-ethoxy-3-methoxy-N-methylaniline.

Molecular Properties

Compound Name4-ethoxy-3-methoxy-N-methylaniline
PubChem CID63089329
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name4-ethoxy-3-methoxy-N-methylaniline
SMILESCCOc1ccc(NC)cc1OC
InChIInChI=1S/C10H15NO2/c1-4-13-9-6-5-8(11-2)7-10(9)12-3/h5-7,11H,4H2,1-3H3
InChIKeyWHCMQPBAOAKGSZ-UHFFFAOYSA-N
XLogP2.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.14
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

4-ethoxy-3-fluoro-N-methylaniline
CID 68516738
4-bromo-3-ethoxy-N-methylaniline
CID 175242826
4-ethoxy-3-methoxy-N-pentylaniline
CID 43229052
4-ethoxy-3-methoxy-N-(2-methylpentan-3-yl)aniline
CID 43785298
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
4-ethoxy-3-methoxy-N-(1-methoxypropan-2-yl)aniline
CID 62536992
2-amino-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 43708125
N-(4-ethoxy-3-methoxyphenyl)propane-2-sulfonamide
CID 62997998
N-(4-ethoxy-3-methoxyphenyl)-3-oxobutanamide
CID 18072376
N-(4-ethoxy-3-methoxyphenyl)-2,4,5-trimethoxybenzamide
CID 9103295
3-(4-ethoxy-3-methoxyphenyl)-N-methylpropan-1-amine
CID 116989176
2-chloro-N-(4-ethoxy-3-methoxyphenyl)ethanesulfonamide
CID 107650750

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methoxy-N-methylaniline?
The IUPAC name of 4-ethoxy-3-methoxy-N-methylaniline (CID 63089329) is 4-ethoxy-3-methoxy-N-methylaniline.
What is the SMILES notation for 4-ethoxy-3-methoxy-N-methylaniline?
The canonical SMILES for 4-ethoxy-3-methoxy-N-methylaniline is CCOc1ccc(NC)cc1OC.
What is the InChIKey of 4-ethoxy-3-methoxy-N-methylaniline?
The InChIKey is WHCMQPBAOAKGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-13-9-6-5-8(11-2)7-10(9)12-3/h5-7,11H,4H2,1-3H3.
What are the key properties of 4-ethoxy-3-methoxy-N-methylaniline?
4-ethoxy-3-methoxy-N-methylaniline has a molecular weight of 181.23 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methoxy-N-methylaniline is sourced from PubChem (CID 63089329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).