2,3-bis[4-(methoxymethyl)phenyl]aniline

C22H23NO2 — CID 122510974

IUPAC2,3-bis[4-(methoxymethyl)phenyl]aniline
SMILESCOCc1ccc(-c2cccc(N)c2-c2ccc(COC)cc2)cc1
InChIInChI=1S/C22H23NO2/c1-24-14-16-6-10-18(11-7-16)20-4-3-5-21(23)22(20)19-12-8-17(9-13-19)15-25-2/h3-13H,14-15,23H2,1-2H3
InChIKeyBXUZTWSSVSWGLD-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.90
Rot. Bonds6

About 2,3-bis[4-(methoxymethyl)phenyl]aniline

2,3-bis[4-(methoxymethyl)phenyl]aniline (PubChem CID 122510974) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2,3-bis[4-(methoxymethyl)phenyl]aniline.

Molecular Properties

Compound Name2,3-bis[4-(methoxymethyl)phenyl]aniline
PubChem CID122510974
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name2,3-bis[4-(methoxymethyl)phenyl]aniline
SMILESCOCc1ccc(-c2cccc(N)c2-c2ccc(COC)cc2)cc1
InChIInChI=1S/C22H23NO2/c1-24-14-16-6-10-18(11-7-16)20-4-3-5-21(23)22(20)19-12-8-17(9-13-19)15-25-2/h3-13H,14-15,23H2,1-2H3
InChIKeyBXUZTWSSVSWGLD-UHFFFAOYSA-N
XLogP4.90
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis[4-(methoxymethyl)phenyl]aniline?
The IUPAC name of 2,3-bis[4-(methoxymethyl)phenyl]aniline (CID 122510974) is 2,3-bis[4-(methoxymethyl)phenyl]aniline.
What is the SMILES notation for 2,3-bis[4-(methoxymethyl)phenyl]aniline?
The canonical SMILES for 2,3-bis[4-(methoxymethyl)phenyl]aniline is COCc1ccc(-c2cccc(N)c2-c2ccc(COC)cc2)cc1.
What is the InChIKey of 2,3-bis[4-(methoxymethyl)phenyl]aniline?
The InChIKey is BXUZTWSSVSWGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-24-14-16-6-10-18(11-7-16)20-4-3-5-21(23)22(20)19-12-8-17(9-13-19)15-25-2/h3-13H,14-15,23H2,1-2H3.
What are the key properties of 2,3-bis[4-(methoxymethyl)phenyl]aniline?
2,3-bis[4-(methoxymethyl)phenyl]aniline has a molecular weight of 333.43 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[4-(methoxymethyl)phenyl]aniline is sourced from PubChem (CID 122510974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).