4-[(N-methoxyanilino)methoxy]aniline

C14H16N2O2 — CID 141357019

IUPAC4-[(N-methoxyanilino)methoxy]aniline
SMILESCON(COc1ccc(N)cc1)c1ccccc1
InChIInChI=1S/C14H16N2O2/c1-17-16(13-5-3-2-4-6-13)11-18-14-9-7-12(15)8-10-14/h2-10H,11,15H2,1H3
InChIKeyPYZKZNXQMOCVQD-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.67
Rot. Bonds5

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

4-[(N-methoxyanilino)methoxy]aniline (PubChem CID 141357019) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[(N-methoxyanilino)methoxy]aniline.

Molecular Properties

Compound Name4-[(N-methoxyanilino)methoxy]aniline
PubChem CID141357019
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-[(N-methoxyanilino)methoxy]aniline
SMILESCON(COc1ccc(N)cc1)c1ccccc1
InChIInChI=1S/C14H16N2O2/c1-17-16(13-5-3-2-4-6-13)11-18-14-9-7-12(15)8-10-14/h2-10H,11,15H2,1H3
InChIKeyPYZKZNXQMOCVQD-UHFFFAOYSA-N
XLogP2.67
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(N-methoxyanilino)methoxy]aniline?
The IUPAC name of 4-[(N-methoxyanilino)methoxy]aniline (CID 141357019) is 4-[(N-methoxyanilino)methoxy]aniline.
What is the SMILES notation for 4-[(N-methoxyanilino)methoxy]aniline?
The canonical SMILES for 4-[(N-methoxyanilino)methoxy]aniline is CON(COc1ccc(N)cc1)c1ccccc1.
What is the InChIKey of 4-[(N-methoxyanilino)methoxy]aniline?
The InChIKey is PYZKZNXQMOCVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-17-16(13-5-3-2-4-6-13)11-18-14-9-7-12(15)8-10-14/h2-10H,11,15H2,1H3.
What are the key properties of 4-[(N-methoxyanilino)methoxy]aniline?
4-[(N-methoxyanilino)methoxy]aniline has a molecular weight of 244.29 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N-methoxyanilino)methoxy]aniline is sourced from PubChem (CID 141357019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).