4-(2,3-dimethoxyphenyl)-N,N-dimethylaniline

C16H19NO2 — CID 173360474

IUPAC4-(2,3-dimethoxyphenyl)-N,N-dimethylaniline
SMILESCOc1cccc(-c2ccc(N(C)C)cc2)c1OC
InChIInChI=1S/C16H19NO2/c1-17(2)13-10-8-12(9-11-13)14-6-5-7-15(18-3)16(14)19-4/h5-11H,1-4H3
InChIKeyBVAYLEHYBOPBIH-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.44
Rot. Bonds4

About 4-(2,3-dimethoxyphenyl)-N,N-dimethylaniline

4-(2,3-dimethoxyphenyl)-N,N-dimethylaniline (PubChem CID 173360474) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-(2,3-dimethoxyphenyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(2,3-dimethoxyphenyl)-N,N-dimethylaniline
PubChem CID173360474
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-(2,3-dimethoxyphenyl)-N,N-dimethylaniline
SMILESCOc1cccc(-c2ccc(N(C)C)cc2)c1OC
InChIInChI=1S/C16H19NO2/c1-17(2)13-10-8-12(9-11-13)14-6-5-7-15(18-3)16(14)19-4/h5-11H,1-4H3
InChIKeyBVAYLEHYBOPBIH-UHFFFAOYSA-N
XLogP3.44
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethoxyphenyl)-N,N-dimethylaniline?
The IUPAC name of 4-(2,3-dimethoxyphenyl)-N,N-dimethylaniline (CID 173360474) is 4-(2,3-dimethoxyphenyl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(2,3-dimethoxyphenyl)-N,N-dimethylaniline?
The canonical SMILES for 4-(2,3-dimethoxyphenyl)-N,N-dimethylaniline is COc1cccc(-c2ccc(N(C)C)cc2)c1OC.
What is the InChIKey of 4-(2,3-dimethoxyphenyl)-N,N-dimethylaniline?
The InChIKey is BVAYLEHYBOPBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-17(2)13-10-8-12(9-11-13)14-6-5-7-15(18-3)16(14)19-4/h5-11H,1-4H3.
What are the key properties of 4-(2,3-dimethoxyphenyl)-N,N-dimethylaniline?
4-(2,3-dimethoxyphenyl)-N,N-dimethylaniline has a molecular weight of 257.33 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethoxyphenyl)-N,N-dimethylaniline is sourced from PubChem (CID 173360474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).