N-benzhydryl-2-methyl-2-phenylpropan-1-imine

C23H23N — CID 67052820

IUPACN-benzhydryl-2-methyl-2-phenylpropan-1-imine
SMILESCC(C)(/C=N/C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23N/c1-23(2,21-16-10-5-11-17-21)18-24-22(19-12-6-3-7-13-19)20-14-8-4-9-15-20/h3-18,22H,1-2H3/b24-18+
InChIKeyNEEKVDLYUBKBGL-HKOYGPOVSA-N
MW313.44 g/mol
LogP5.82
Rot. Bonds5

About N-benzhydryl-2-methyl-2-phenylpropan-1-imine

N-benzhydryl-2-methyl-2-phenylpropan-1-imine (PubChem CID 67052820) has the molecular formula C23H23N and a molecular weight of 313.44 g/mol. Its IUPAC name is N-benzhydryl-2-methyl-2-phenylpropan-1-imine.

Molecular Properties

Compound NameN-benzhydryl-2-methyl-2-phenylpropan-1-imine
PubChem CID67052820
Molecular FormulaC23H23N
Molecular Weight313.44 g/mol
Exact Mass313.18
IUPAC NameN-benzhydryl-2-methyl-2-phenylpropan-1-imine
SMILESCC(C)(/C=N/C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23N/c1-23(2,21-16-10-5-11-17-21)18-24-22(19-12-6-3-7-13-19)20-14-8-4-9-15-20/h3-18,22H,1-2H3/b24-18+
InChIKeyNEEKVDLYUBKBGL-HKOYGPOVSA-N
XLogP5.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.44
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-2-methyl-2-phenylpropan-1-imine?
The IUPAC name of N-benzhydryl-2-methyl-2-phenylpropan-1-imine (CID 67052820) is N-benzhydryl-2-methyl-2-phenylpropan-1-imine.
What is the SMILES notation for N-benzhydryl-2-methyl-2-phenylpropan-1-imine?
The canonical SMILES for N-benzhydryl-2-methyl-2-phenylpropan-1-imine is CC(C)(/C=N/C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-methyl-2-phenylpropan-1-imine?
The InChIKey is NEEKVDLYUBKBGL-HKOYGPOVSA-N. The full InChI is InChI=1S/C23H23N/c1-23(2,21-16-10-5-11-17-21)18-24-22(19-12-6-3-7-13-19)20-14-8-4-9-15-20/h3-18,22H,1-2H3/b24-18+.
What are the key properties of N-benzhydryl-2-methyl-2-phenylpropan-1-imine?
N-benzhydryl-2-methyl-2-phenylpropan-1-imine has a molecular weight of 313.44 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-methyl-2-phenylpropan-1-imine is sourced from PubChem (CID 67052820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).