4-ethoxy-N-ethyl-3-methylaniline

C11H17NO — CID 82490653

IUPAC4-ethoxy-N-ethyl-3-methylaniline
SMILESCCNc1ccc(OCC)c(C)c1
InChIInChI=1S/C11H17NO/c1-4-12-10-6-7-11(13-5-2)9(3)8-10/h6-8,12H,4-5H2,1-3H3
InChIKeyXGYMFEULHLLEIC-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.83
Rot. Bonds4

About 4-ethoxy-N-ethyl-3-methylaniline

4-ethoxy-N-ethyl-3-methylaniline (PubChem CID 82490653) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-3-methylaniline.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-3-methylaniline
PubChem CID82490653
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-ethoxy-N-ethyl-3-methylaniline
SMILESCCNc1ccc(OCC)c(C)c1
InChIInChI=1S/C11H17NO/c1-4-12-10-6-7-11(13-5-2)9(3)8-10/h6-8,12H,4-5H2,1-3H3
InChIKeyXGYMFEULHLLEIC-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-4-ethoxy-3-methylaniline
CID 115214594
N'-(4-ethoxy-3-methylphenyl)-N-methylethane-1,2-diamine
CID 115195723
4-ethoxy-N-ethyl-3-fluoroaniline
CID 82490729
methyl 2-(4-ethoxy-3-methylanilino)acetate
CID 115232665
ethyl 2-(4-ethoxy-3-methylanilino)acetate
CID 115257196
N-(4-ethoxy-3-methylphenyl)-2,2-dimethylbutane-1,4-diamine
CID 115204209
N-(4-ethoxy-3-methylphenyl)-2-methylbutane-1,4-diamine
CID 115202314
4-(4-ethoxy-3-methylanilino)-3,3-dimethylbutanoic acid
CID 115220199
N-[(3-aminophenyl)methyl]-4-ethoxy-3-methylaniline
CID 115211777
N-cyclobutyl-4-ethoxy-3-methylaniline
CID 115884846
4-(4-ethoxy-3-methylanilino)-3-methylbutanoic acid
CID 115219712
methyl 1-[(4-ethoxy-3-methylanilino)methyl]cyclopropane-1-carboxylate
CID 115247424

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-3-methylaniline?
The IUPAC name of 4-ethoxy-N-ethyl-3-methylaniline (CID 82490653) is 4-ethoxy-N-ethyl-3-methylaniline.
What is the SMILES notation for 4-ethoxy-N-ethyl-3-methylaniline?
The canonical SMILES for 4-ethoxy-N-ethyl-3-methylaniline is CCNc1ccc(OCC)c(C)c1.
What is the InChIKey of 4-ethoxy-N-ethyl-3-methylaniline?
The InChIKey is XGYMFEULHLLEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-12-10-6-7-11(13-5-2)9(3)8-10/h6-8,12H,4-5H2,1-3H3.
What are the key properties of 4-ethoxy-N-ethyl-3-methylaniline?
4-ethoxy-N-ethyl-3-methylaniline has a molecular weight of 179.26 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethyl-3-methylaniline is sourced from PubChem (CID 82490653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).