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

C17H21NO — CID 850160

IUPACN-[2,6-di(propan-2-yl)phenyl]-1-(furan-2-yl)methanimine
SMILESCC(C)c1cccc(C(C)C)c1/N=C/c1ccco1
InChIInChI=1S/C17H21NO/c1-12(2)15-8-5-9-16(13(3)4)17(15)18-11-14-7-6-10-19-14/h5-13H,1-4H3/b18-11+
InChIKeyFHPBQVHTSGGPAB-WOJGMQOQSA-N
MW255.36 g/mol
LogP5.28
Rot. Bonds4

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

N-[2,6-di(propan-2-yl)phenyl]-1-(furan-2-yl)methanimine (PubChem CID 850160) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-1-(furan-2-yl)methanimine.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-1-(furan-2-yl)methanimine
PubChem CID850160
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-1-(furan-2-yl)methanimine
SMILESCC(C)c1cccc(C(C)C)c1/N=C/c1ccco1
InChIInChI=1S/C17H21NO/c1-12(2)15-8-5-9-16(13(3)4)17(15)18-11-14-7-6-10-19-14/h5-13H,1-4H3/b18-11+
InChIKeyFHPBQVHTSGGPAB-WOJGMQOQSA-N
XLogP5.28
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.36
LogP ≤ 55.28
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-[2,6-di(propan-2-yl)phenyl]-1-(furan-2-yl)methanimine?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1-(furan-2-yl)methanimine (CID 850160) is N-[2,6-di(propan-2-yl)phenyl]-1-(furan-2-yl)methanimine.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-1-(furan-2-yl)methanimine?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-1-(furan-2-yl)methanimine is CC(C)c1cccc(C(C)C)c1/N=C/c1ccco1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-1-(furan-2-yl)methanimine?
The InChIKey is FHPBQVHTSGGPAB-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H21NO/c1-12(2)15-8-5-9-16(13(3)4)17(15)18-11-14-7-6-10-19-14/h5-13H,1-4H3/b18-11+.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-1-(furan-2-yl)methanimine?
N-[2,6-di(propan-2-yl)phenyl]-1-(furan-2-yl)methanimine has a molecular weight of 255.36 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-1-(furan-2-yl)methanimine is sourced from PubChem (CID 850160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).