N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine

C19H23N — CID 1284732

IUPACN-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine
SMILESCC(C)c1cccc(C(C)C)c1/N=C/c1ccccc1
InChIInChI=1S/C19H23N/c1-14(2)17-11-8-12-18(15(3)4)19(17)20-13-16-9-6-5-7-10-16/h5-15H,1-4H3/b20-13+
InChIKeyILZFFCZRZOQKFD-DEDYPNTBSA-N
MW265.40 g/mol
LogP5.68
Rot. Bonds4

About N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine

N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine (PubChem CID 1284732) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine
PubChem CID1284732
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine
SMILESCC(C)c1cccc(C(C)C)c1/N=C/c1ccccc1
InChIInChI=1S/C19H23N/c1-14(2)17-11-8-12-18(15(3)4)19(17)20-13-16-9-6-5-7-10-16/h5-15H,1-4H3/b20-13+
InChIKeyILZFFCZRZOQKFD-DEDYPNTBSA-N
XLogP5.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.40
LogP ≤ 55.68
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-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine (CID 1284732) is N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine is CC(C)c1cccc(C(C)C)c1/N=C/c1ccccc1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine?
The InChIKey is ILZFFCZRZOQKFD-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H23N/c1-14(2)17-11-8-12-18(15(3)4)19(17)20-13-16-9-6-5-7-10-16/h5-15H,1-4H3/b20-13+.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine?
N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine has a molecular weight of 265.40 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine is sourced from PubChem (CID 1284732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).