4-(4-amino-2,5-dimethoxyphenyl)-2,5-dimethoxyaniline

C16H20N2O4 — CID 21496658

IUPAC4-(4-amino-2,5-dimethoxyphenyl)-2,5-dimethoxyaniline
SMILESCOc1cc(-c2cc(OC)c(N)cc2OC)c(OC)cc1N
InChIInChI=1S/C16H20N2O4/c1-19-13-7-11(17)15(21-3)5-9(13)10-6-16(22-4)12(18)8-14(10)20-2/h5-8H,17-18H2,1-4H3
InChIKeyPYDNYPZMBRJPRN-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.55
Rot. Bonds5

About 4-(4-amino-2,5-dimethoxyphenyl)-2,5-dimethoxyaniline

4-(4-amino-2,5-dimethoxyphenyl)-2,5-dimethoxyaniline (PubChem CID 21496658) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-(4-amino-2,5-dimethoxyphenyl)-2,5-dimethoxyaniline.

Molecular Properties

Compound Name4-(4-amino-2,5-dimethoxyphenyl)-2,5-dimethoxyaniline
PubChem CID21496658
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name4-(4-amino-2,5-dimethoxyphenyl)-2,5-dimethoxyaniline
SMILESCOc1cc(-c2cc(OC)c(N)cc2OC)c(OC)cc1N
InChIInChI=1S/C16H20N2O4/c1-19-13-7-11(17)15(21-3)5-9(13)10-6-16(22-4)12(18)8-14(10)20-2/h5-8H,17-18H2,1-4H3
InChIKeyPYDNYPZMBRJPRN-UHFFFAOYSA-N
XLogP2.55
TPSA88.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2,5-dimethoxyphenyl)-2,5-dimethoxyaniline?
The IUPAC name of 4-(4-amino-2,5-dimethoxyphenyl)-2,5-dimethoxyaniline (CID 21496658) is 4-(4-amino-2,5-dimethoxyphenyl)-2,5-dimethoxyaniline.
What is the SMILES notation for 4-(4-amino-2,5-dimethoxyphenyl)-2,5-dimethoxyaniline?
The canonical SMILES for 4-(4-amino-2,5-dimethoxyphenyl)-2,5-dimethoxyaniline is COc1cc(-c2cc(OC)c(N)cc2OC)c(OC)cc1N.
What is the InChIKey of 4-(4-amino-2,5-dimethoxyphenyl)-2,5-dimethoxyaniline?
The InChIKey is PYDNYPZMBRJPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-19-13-7-11(17)15(21-3)5-9(13)10-6-16(22-4)12(18)8-14(10)20-2/h5-8H,17-18H2,1-4H3.
What are the key properties of 4-(4-amino-2,5-dimethoxyphenyl)-2,5-dimethoxyaniline?
4-(4-amino-2,5-dimethoxyphenyl)-2,5-dimethoxyaniline has a molecular weight of 304.35 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2,5-dimethoxyphenyl)-2,5-dimethoxyaniline is sourced from PubChem (CID 21496658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).