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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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]methanimine
CID 2755070
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;cobalt
CID 69498606
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;dibromonickel
CID 21339155
N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]thiophen-3-yl]methanimine
CID 102098000
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;carbanide;nickel
CID 21339154
1-(furan-2-yl)-N-[2-(furan-2-ylmethylideneamino)phenyl]methanimine
CID 10015655
ethane;1-(furan-2-yl)-N-phenylmethanimine
CID 160534475
1-(furan-2-yl)-N-[(E)-prop-1-enyl]methanimine
CID 13128411
(E)-1-(furan-2-yl)-N-(6-methyl-2-pyridinyl)methanimine
CID 13285530
(E)-1-(furan-2-yl)-N-trimethylsilylmethanimine
CID 10630921
tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);zinc
CID 139116950
1-(furan-2-yl)-N-(4-methyl-2-pyridinyl)methanimine
CID 11206226

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).