3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-methylaniline

C17H21NO4 — CID 90671556

IUPAC3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-methylaniline
SMILESCOc1ccc(N(C)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C17H21NO4/c1-18(12-6-8-14(19-2)9-7-12)13-10-15(20-3)17(22-5)16(11-13)21-4/h6-11H,1-5H3
InChIKeyRZXXPASDJPXENB-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.49
Rot. Bonds6

About 3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-methylaniline

3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-methylaniline (PubChem CID 90671556) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-methylaniline.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-methylaniline
PubChem CID90671556
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-methylaniline
SMILESCOc1ccc(N(C)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C17H21NO4/c1-18(12-6-8-14(19-2)9-7-12)13-10-15(20-3)17(22-5)16(11-13)21-4/h6-11H,1-5H3
InChIKeyRZXXPASDJPXENB-UHFFFAOYSA-N
XLogP3.49
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-methylaniline?
The IUPAC name of 3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-methylaniline (CID 90671556) is 3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-methylaniline.
What is the SMILES notation for 3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-methylaniline?
The canonical SMILES for 3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-methylaniline is COc1ccc(N(C)c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-methylaniline?
The InChIKey is RZXXPASDJPXENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-18(12-6-8-14(19-2)9-7-12)13-10-15(20-3)17(22-5)16(11-13)21-4/h6-11H,1-5H3.
What are the key properties of 3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-methylaniline?
3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-methylaniline has a molecular weight of 303.36 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-methylaniline is sourced from PubChem (CID 90671556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).