5-(3-amino-4-methoxyphenyl)-2-methoxyaniline

C14H16N2O2 — CID 22646067

IUPAC5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
SMILESCOc1ccc(-c2ccc(OC)c(N)c2)cc1N
InChIInChI=1S/C14H16N2O2/c1-17-13-5-3-9(7-11(13)15)10-4-6-14(18-2)12(16)8-10/h3-8H,15-16H2,1-2H3
InChIKeyGEMWNLBFZGEVDY-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.54
Rot. Bonds3

About 5-(3-amino-4-methoxyphenyl)-2-methoxyaniline

5-(3-amino-4-methoxyphenyl)-2-methoxyaniline (PubChem CID 22646067) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-(3-amino-4-methoxyphenyl)-2-methoxyaniline.

Molecular Properties

Compound Name5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
PubChem CID22646067
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
SMILESCOc1ccc(-c2ccc(OC)c(N)c2)cc1N
InChIInChI=1S/C14H16N2O2/c1-17-13-5-3-9(7-11(13)15)10-4-6-14(18-2)12(16)8-10/h3-8H,15-16H2,1-2H3
InChIKeyGEMWNLBFZGEVDY-UHFFFAOYSA-N
XLogP2.54
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-4-methoxyphenyl)-2-methoxyaniline?
The IUPAC name of 5-(3-amino-4-methoxyphenyl)-2-methoxyaniline (CID 22646067) is 5-(3-amino-4-methoxyphenyl)-2-methoxyaniline.
What is the SMILES notation for 5-(3-amino-4-methoxyphenyl)-2-methoxyaniline?
The canonical SMILES for 5-(3-amino-4-methoxyphenyl)-2-methoxyaniline is COc1ccc(-c2ccc(OC)c(N)c2)cc1N.
What is the InChIKey of 5-(3-amino-4-methoxyphenyl)-2-methoxyaniline?
The InChIKey is GEMWNLBFZGEVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-17-13-5-3-9(7-11(13)15)10-4-6-14(18-2)12(16)8-10/h3-8H,15-16H2,1-2H3.
What are the key properties of 5-(3-amino-4-methoxyphenyl)-2-methoxyaniline?
5-(3-amino-4-methoxyphenyl)-2-methoxyaniline has a molecular weight of 244.29 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-4-methoxyphenyl)-2-methoxyaniline is sourced from PubChem (CID 22646067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).