4-[2-(3,5-dimethoxyphenyl)ethyl]-N,N-dimethylaniline

C18H23NO2 — CID 53329226

IUPAC4-[2-(3,5-dimethoxyphenyl)ethyl]-N,N-dimethylaniline
SMILESCOc1cc(CCc2ccc(N(C)C)cc2)cc(OC)c1
InChIInChI=1S/C18H23NO2/c1-19(2)16-9-7-14(8-10-16)5-6-15-11-17(20-3)13-18(12-15)21-4/h7-13H,5-6H2,1-4H3
InChIKeyPPUZEFSVDOCCRZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.56
Rot. Bonds6

About 4-[2-(3,5-dimethoxyphenyl)ethyl]-N,N-dimethylaniline

4-[2-(3,5-dimethoxyphenyl)ethyl]-N,N-dimethylaniline (PubChem CID 53329226) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[2-(3,5-dimethoxyphenyl)ethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-(3,5-dimethoxyphenyl)ethyl]-N,N-dimethylaniline
PubChem CID53329226
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name4-[2-(3,5-dimethoxyphenyl)ethyl]-N,N-dimethylaniline
SMILESCOc1cc(CCc2ccc(N(C)C)cc2)cc(OC)c1
InChIInChI=1S/C18H23NO2/c1-19(2)16-9-7-14(8-10-16)5-6-15-11-17(20-3)13-18(12-15)21-4/h7-13H,5-6H2,1-4H3
InChIKeyPPUZEFSVDOCCRZ-UHFFFAOYSA-N
XLogP3.56
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2-(3,5-dimethoxyphenyl)ethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-(3,5-dimethoxyphenyl)ethyl]-N,N-dimethylaniline (CID 53329226) is 4-[2-(3,5-dimethoxyphenyl)ethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-(3,5-dimethoxyphenyl)ethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-(3,5-dimethoxyphenyl)ethyl]-N,N-dimethylaniline is COc1cc(CCc2ccc(N(C)C)cc2)cc(OC)c1.
What is the InChIKey of 4-[2-(3,5-dimethoxyphenyl)ethyl]-N,N-dimethylaniline?
The InChIKey is PPUZEFSVDOCCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-19(2)16-9-7-14(8-10-16)5-6-15-11-17(20-3)13-18(12-15)21-4/h7-13H,5-6H2,1-4H3.
What are the key properties of 4-[2-(3,5-dimethoxyphenyl)ethyl]-N,N-dimethylaniline?
4-[2-(3,5-dimethoxyphenyl)ethyl]-N,N-dimethylaniline has a molecular weight of 285.39 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dimethoxyphenyl)ethyl]-N,N-dimethylaniline is sourced from PubChem (CID 53329226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).