2-[[2-[(2-aminophenoxy)methyl]phenyl]methoxy]aniline

C20H20N2O2 — CID 15784544

IUPAC2-[[2-[(2-aminophenoxy)methyl]phenyl]methoxy]aniline
SMILESNc1ccccc1OCc1ccccc1COc1ccccc1N
InChIInChI=1S/C20H20N2O2/c21-17-9-3-5-11-19(17)23-13-15-7-1-2-8-16(15)14-24-20-12-6-4-10-18(20)22/h1-12H,13-14,21-22H2
InChIKeyNZROCTZJPZDWDM-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.01
Rot. Bonds6

About 2-[[2-[(2-aminophenoxy)methyl]phenyl]methoxy]aniline

2-[[2-[(2-aminophenoxy)methyl]phenyl]methoxy]aniline (PubChem CID 15784544) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[[2-[(2-aminophenoxy)methyl]phenyl]methoxy]aniline.

Molecular Properties

Compound Name2-[[2-[(2-aminophenoxy)methyl]phenyl]methoxy]aniline
PubChem CID15784544
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2-[[2-[(2-aminophenoxy)methyl]phenyl]methoxy]aniline
SMILESNc1ccccc1OCc1ccccc1COc1ccccc1N
InChIInChI=1S/C20H20N2O2/c21-17-9-3-5-11-19(17)23-13-15-7-1-2-8-16(15)14-24-20-12-6-4-10-18(20)22/h1-12H,13-14,21-22H2
InChIKeyNZROCTZJPZDWDM-UHFFFAOYSA-N
XLogP4.01
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.01
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 2-[[2-[(2-aminophenoxy)methyl]phenyl]methoxy]aniline?
The IUPAC name of 2-[[2-[(2-aminophenoxy)methyl]phenyl]methoxy]aniline (CID 15784544) is 2-[[2-[(2-aminophenoxy)methyl]phenyl]methoxy]aniline.
What is the SMILES notation for 2-[[2-[(2-aminophenoxy)methyl]phenyl]methoxy]aniline?
The canonical SMILES for 2-[[2-[(2-aminophenoxy)methyl]phenyl]methoxy]aniline is Nc1ccccc1OCc1ccccc1COc1ccccc1N.
What is the InChIKey of 2-[[2-[(2-aminophenoxy)methyl]phenyl]methoxy]aniline?
The InChIKey is NZROCTZJPZDWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c21-17-9-3-5-11-19(17)23-13-15-7-1-2-8-16(15)14-24-20-12-6-4-10-18(20)22/h1-12H,13-14,21-22H2.
What are the key properties of 2-[[2-[(2-aminophenoxy)methyl]phenyl]methoxy]aniline?
2-[[2-[(2-aminophenoxy)methyl]phenyl]methoxy]aniline has a molecular weight of 320.39 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-aminophenoxy)methyl]phenyl]methoxy]aniline is sourced from PubChem (CID 15784544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).