4-methoxy-N-[[4-[(4-methoxyanilino)methyl]phenyl]methyl]aniline

C22H24N2O2 — CID 4294941

IUPAC4-methoxy-N-[[4-[(4-methoxyanilino)methyl]phenyl]methyl]aniline
SMILESCOc1ccc(NCc2ccc(CNc3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C22H24N2O2/c1-25-21-11-7-19(8-12-21)23-15-17-3-5-18(6-4-17)16-24-20-9-13-22(26-2)14-10-20/h3-14,23-24H,15-16H2,1-2H3
InChIKeyWCCHVYYZOCJPRL-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.93
Rot. Bonds8

About 4-methoxy-N-[[4-[(4-methoxyanilino)methyl]phenyl]methyl]aniline

4-methoxy-N-[[4-[(4-methoxyanilino)methyl]phenyl]methyl]aniline (PubChem CID 4294941) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-methoxy-N-[[4-[(4-methoxyanilino)methyl]phenyl]methyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-[[4-[(4-methoxyanilino)methyl]phenyl]methyl]aniline
PubChem CID4294941
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name4-methoxy-N-[[4-[(4-methoxyanilino)methyl]phenyl]methyl]aniline
SMILESCOc1ccc(NCc2ccc(CNc3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C22H24N2O2/c1-25-21-11-7-19(8-12-21)23-15-17-3-5-18(6-4-17)16-24-20-9-13-22(26-2)14-10-20/h3-14,23-24H,15-16H2,1-2H3
InChIKeyWCCHVYYZOCJPRL-UHFFFAOYSA-N
XLogP4.93
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-methoxy-N-[[4-[(4-methoxyanilino)methyl]phenyl]methyl]aniline?
The IUPAC name of 4-methoxy-N-[[4-[(4-methoxyanilino)methyl]phenyl]methyl]aniline (CID 4294941) is 4-methoxy-N-[[4-[(4-methoxyanilino)methyl]phenyl]methyl]aniline.
What is the SMILES notation for 4-methoxy-N-[[4-[(4-methoxyanilino)methyl]phenyl]methyl]aniline?
The canonical SMILES for 4-methoxy-N-[[4-[(4-methoxyanilino)methyl]phenyl]methyl]aniline is COc1ccc(NCc2ccc(CNc3ccc(OC)cc3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[[4-[(4-methoxyanilino)methyl]phenyl]methyl]aniline?
The InChIKey is WCCHVYYZOCJPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-25-21-11-7-19(8-12-21)23-15-17-3-5-18(6-4-17)16-24-20-9-13-22(26-2)14-10-20/h3-14,23-24H,15-16H2,1-2H3.
What are the key properties of 4-methoxy-N-[[4-[(4-methoxyanilino)methyl]phenyl]methyl]aniline?
4-methoxy-N-[[4-[(4-methoxyanilino)methyl]phenyl]methyl]aniline has a molecular weight of 348.45 g/mol, XLogP of 4.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[4-[(4-methoxyanilino)methyl]phenyl]methyl]aniline is sourced from PubChem (CID 4294941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).