N-benzhydryl-1-(4-methoxyphenyl)methanimine

C21H19NO — CID 5461666

IUPACN-benzhydryl-1-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/C=N/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/h2-16,21H,1H3/b22-16+
InChIKeyZHBWTBRVDSYEKY-CJLVFECKSA-N
MW301.39 g/mol
LogP4.90
Rot. Bonds5

About N-benzhydryl-1-(4-methoxyphenyl)methanimine

N-benzhydryl-1-(4-methoxyphenyl)methanimine (PubChem CID 5461666) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is N-benzhydryl-1-(4-methoxyphenyl)methanimine.

Molecular Properties

Compound NameN-benzhydryl-1-(4-methoxyphenyl)methanimine
PubChem CID5461666
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC NameN-benzhydryl-1-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/C=N/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/h2-16,21H,1H3/b22-16+
InChIKeyZHBWTBRVDSYEKY-CJLVFECKSA-N
XLogP4.90
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 ≤ 54.90
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-benzhydryl-1-(4-methoxyphenyl)methanimine?
The IUPAC name of N-benzhydryl-1-(4-methoxyphenyl)methanimine (CID 5461666) is N-benzhydryl-1-(4-methoxyphenyl)methanimine.
What is the SMILES notation for N-benzhydryl-1-(4-methoxyphenyl)methanimine?
The canonical SMILES for N-benzhydryl-1-(4-methoxyphenyl)methanimine is COc1ccc(/C=N/C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-benzhydryl-1-(4-methoxyphenyl)methanimine?
The InChIKey is ZHBWTBRVDSYEKY-CJLVFECKSA-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/h2-16,21H,1H3/b22-16+.
What are the key properties of N-benzhydryl-1-(4-methoxyphenyl)methanimine?
N-benzhydryl-1-(4-methoxyphenyl)methanimine has a molecular weight of 301.39 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-(4-methoxyphenyl)methanimine is sourced from PubChem (CID 5461666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).