N-[(4-methoxyphenyl)methyl]-1,1-diphenylmethanimine

C21H19NO — CID 12687443

IUPACN-[(4-methoxyphenyl)methyl]-1,1-diphenylmethanimine
SMILESCOc1ccc(CN=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H19NO/c1-23-20-14-12-17(13-15-20)16-22-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15H,16H2,1H3
InChIKeyRBMYSJNHYFWWOZ-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.73
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-1,1-diphenylmethanimine

N-[(4-methoxyphenyl)methyl]-1,1-diphenylmethanimine (PubChem CID 12687443) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1,1-diphenylmethanimine
PubChem CID12687443
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-1,1-diphenylmethanimine
SMILESCOc1ccc(CN=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H19NO/c1-23-20-14-12-17(13-15-20)16-22-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15H,16H2,1H3
InChIKeyRBMYSJNHYFWWOZ-UHFFFAOYSA-N
XLogP4.73
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1,1-diphenylmethanimine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1,1-diphenylmethanimine (CID 12687443) is N-[(4-methoxyphenyl)methyl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1,1-diphenylmethanimine is COc1ccc(CN=C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1,1-diphenylmethanimine?
The InChIKey is RBMYSJNHYFWWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c1-23-20-14-12-17(13-15-20)16-22-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15H,16H2,1H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-1,1-diphenylmethanimine?
N-[(4-methoxyphenyl)methyl]-1,1-diphenylmethanimine has a molecular weight of 301.39 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1,1-diphenylmethanimine is sourced from PubChem (CID 12687443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).