2,3,4,5-tetramethoxy-6-phenylaniline

C16H19NO4 — CID 174664153

IUPAC2,3,4,5-tetramethoxy-6-phenylaniline
SMILESCOc1c(N)c(-c2ccccc2)c(OC)c(OC)c1OC
InChIInChI=1S/C16H19NO4/c1-18-13-11(10-8-6-5-7-9-10)12(17)14(19-2)16(21-4)15(13)20-3/h5-9H,17H2,1-4H3
InChIKeyQDLJXAPYBOHUNS-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.97
Rot. Bonds5

About 2,3,4,5-tetramethoxy-6-phenylaniline

2,3,4,5-tetramethoxy-6-phenylaniline (PubChem CID 174664153) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2,3,4,5-tetramethoxy-6-phenylaniline.

Molecular Properties

Compound Name2,3,4,5-tetramethoxy-6-phenylaniline
PubChem CID174664153
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name2,3,4,5-tetramethoxy-6-phenylaniline
SMILESCOc1c(N)c(-c2ccccc2)c(OC)c(OC)c1OC
InChIInChI=1S/C16H19NO4/c1-18-13-11(10-8-6-5-7-9-10)12(17)14(19-2)16(21-4)15(13)20-3/h5-9H,17H2,1-4H3
InChIKeyQDLJXAPYBOHUNS-UHFFFAOYSA-N
XLogP2.97
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetramethoxy-6-phenylaniline?
The IUPAC name of 2,3,4,5-tetramethoxy-6-phenylaniline (CID 174664153) is 2,3,4,5-tetramethoxy-6-phenylaniline.
What is the SMILES notation for 2,3,4,5-tetramethoxy-6-phenylaniline?
The canonical SMILES for 2,3,4,5-tetramethoxy-6-phenylaniline is COc1c(N)c(-c2ccccc2)c(OC)c(OC)c1OC.
What is the InChIKey of 2,3,4,5-tetramethoxy-6-phenylaniline?
The InChIKey is QDLJXAPYBOHUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-18-13-11(10-8-6-5-7-9-10)12(17)14(19-2)16(21-4)15(13)20-3/h5-9H,17H2,1-4H3.
What are the key properties of 2,3,4,5-tetramethoxy-6-phenylaniline?
2,3,4,5-tetramethoxy-6-phenylaniline has a molecular weight of 289.33 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetramethoxy-6-phenylaniline is sourced from PubChem (CID 174664153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).