4-[(4-amino-2-methoxyphenyl)methyl]-3-methoxyaniline

C15H18N2O2 — CID 750093

IUPAC4-[(4-amino-2-methoxyphenyl)methyl]-3-methoxyaniline
SMILESCOc1cc(N)ccc1Cc1ccc(N)cc1OC
InChIInChI=1S/C15H18N2O2/c1-18-14-8-12(16)5-3-10(14)7-11-4-6-13(17)9-15(11)19-2/h3-6,8-9H,7,16-17H2,1-2H3
InChIKeyJONHCPXLZRZWKC-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.46
Rot. Bonds4

About 4-[(4-amino-2-methoxyphenyl)methyl]-3-methoxyaniline

4-[(4-amino-2-methoxyphenyl)methyl]-3-methoxyaniline (PubChem CID 750093) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[(4-amino-2-methoxyphenyl)methyl]-3-methoxyaniline.

Molecular Properties

Compound Name4-[(4-amino-2-methoxyphenyl)methyl]-3-methoxyaniline
PubChem CID750093
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-[(4-amino-2-methoxyphenyl)methyl]-3-methoxyaniline
SMILESCOc1cc(N)ccc1Cc1ccc(N)cc1OC
InChIInChI=1S/C15H18N2O2/c1-18-14-8-12(16)5-3-10(14)7-11-4-6-13(17)9-15(11)19-2/h3-6,8-9H,7,16-17H2,1-2H3
InChIKeyJONHCPXLZRZWKC-UHFFFAOYSA-N
XLogP2.46
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[(4-amino-2-methoxyphenyl)methyl]-3-methoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-2-methoxyphenyl)methyl]-3-methoxyaniline?
The IUPAC name of 4-[(4-amino-2-methoxyphenyl)methyl]-3-methoxyaniline (CID 750093) is 4-[(4-amino-2-methoxyphenyl)methyl]-3-methoxyaniline.
What is the SMILES notation for 4-[(4-amino-2-methoxyphenyl)methyl]-3-methoxyaniline?
The canonical SMILES for 4-[(4-amino-2-methoxyphenyl)methyl]-3-methoxyaniline is COc1cc(N)ccc1Cc1ccc(N)cc1OC.
What is the InChIKey of 4-[(4-amino-2-methoxyphenyl)methyl]-3-methoxyaniline?
The InChIKey is JONHCPXLZRZWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-18-14-8-12(16)5-3-10(14)7-11-4-6-13(17)9-15(11)19-2/h3-6,8-9H,7,16-17H2,1-2H3.
What are the key properties of 4-[(4-amino-2-methoxyphenyl)methyl]-3-methoxyaniline?
4-[(4-amino-2-methoxyphenyl)methyl]-3-methoxyaniline has a molecular weight of 258.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-2-methoxyphenyl)methyl]-3-methoxyaniline is sourced from PubChem (CID 750093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).