3,4,5-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline

C19H25NO6 — CID 4049030

IUPAC3,4,5-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
SMILESCOc1cc(CNc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C19H25NO6/c1-21-14-7-12(8-15(22-2)18(14)25-5)11-20-13-9-16(23-3)19(26-6)17(10-13)24-4/h7-10,20H,11H2,1-6H3
InChIKeyCXRVPWLVIASLKP-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.35
Rot. Bonds9

About 3,4,5-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline

3,4,5-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline (PubChem CID 4049030) has the molecular formula C19H25NO6 and a molecular weight of 363.41 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
PubChem CID4049030
Molecular FormulaC19H25NO6
Molecular Weight363.41 g/mol
Exact Mass363.17
IUPAC Name3,4,5-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
SMILESCOc1cc(CNc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C19H25NO6/c1-21-14-7-12(8-15(22-2)18(14)25-5)11-20-13-9-16(23-3)19(26-6)17(10-13)24-4/h7-10,20H,11H2,1-6H3
InChIKeyCXRVPWLVIASLKP-UHFFFAOYSA-N
XLogP3.35
TPSA67.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline?
The IUPAC name of 3,4,5-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline (CID 4049030) is 3,4,5-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline.
What is the SMILES notation for 3,4,5-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline?
The canonical SMILES for 3,4,5-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline is COc1cc(CNc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline?
The InChIKey is CXRVPWLVIASLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO6/c1-21-14-7-12(8-15(22-2)18(14)25-5)11-20-13-9-16(23-3)19(26-6)17(10-13)24-4/h7-10,20H,11H2,1-6H3.
What are the key properties of 3,4,5-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline?
3,4,5-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline has a molecular weight of 363.41 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline is sourced from PubChem (CID 4049030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).