4-(1-methoxyethyl)-N,N-dimethylaniline

C11H17NO — CID 14923984

IUPAC4-(1-methoxyethyl)-N,N-dimethylaniline
SMILESCOC(C)c1ccc(N(C)C)cc1
InChIInChI=1S/C11H17NO/c1-9(13-4)10-5-7-11(8-6-10)12(2)3/h5-9H,1-4H3
InChIKeyYMTQMPLRLMGMNZ-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.46
Rot. Bonds3

About 4-(1-methoxyethyl)-N,N-dimethylaniline

4-(1-methoxyethyl)-N,N-dimethylaniline (PubChem CID 14923984) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-(1-methoxyethyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(1-methoxyethyl)-N,N-dimethylaniline
PubChem CID14923984
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-(1-methoxyethyl)-N,N-dimethylaniline
SMILESCOC(C)c1ccc(N(C)C)cc1
InChIInChI=1S/C11H17NO/c1-9(13-4)10-5-7-11(8-6-10)12(2)3/h5-9H,1-4H3
InChIKeyYMTQMPLRLMGMNZ-UHFFFAOYSA-N
XLogP2.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxyethyl)-N,N-dimethylaniline?
The IUPAC name of 4-(1-methoxyethyl)-N,N-dimethylaniline (CID 14923984) is 4-(1-methoxyethyl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(1-methoxyethyl)-N,N-dimethylaniline?
The canonical SMILES for 4-(1-methoxyethyl)-N,N-dimethylaniline is COC(C)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-(1-methoxyethyl)-N,N-dimethylaniline?
The InChIKey is YMTQMPLRLMGMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9(13-4)10-5-7-11(8-6-10)12(2)3/h5-9H,1-4H3.
What are the key properties of 4-(1-methoxyethyl)-N,N-dimethylaniline?
4-(1-methoxyethyl)-N,N-dimethylaniline has a molecular weight of 179.26 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxyethyl)-N,N-dimethylaniline is sourced from PubChem (CID 14923984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).