[3-tert-butyl-2-(4-methylphenyl)phenyl]methanimine

C18H21N — CID 18471696

IUPAC[3-tert-butyl-2-(4-methylphenyl)phenyl]methanimine
SMILES[H]/N=C/c1cccc(C(C)(C)C)c1-c1ccc(C)cc1
InChIInChI=1S/C18H21N/c1-13-8-10-14(11-9-13)17-15(12-19)6-5-7-16(17)18(2,3)4/h5-12,19H,1-4H3/b19-12+
InChIKeyYTLWUEWDHNBDCL-XDHOZWIPSA-N
MW251.37 g/mol
LogP4.96
Rot. Bonds2

About [3-tert-butyl-2-(4-methylphenyl)phenyl]methanimine

[3-tert-butyl-2-(4-methylphenyl)phenyl]methanimine (PubChem CID 18471696) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is [3-tert-butyl-2-(4-methylphenyl)phenyl]methanimine.

Molecular Properties

Compound Name[3-tert-butyl-2-(4-methylphenyl)phenyl]methanimine
PubChem CID18471696
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name[3-tert-butyl-2-(4-methylphenyl)phenyl]methanimine
SMILES[H]/N=C/c1cccc(C(C)(C)C)c1-c1ccc(C)cc1
InChIInChI=1S/C18H21N/c1-13-8-10-14(11-9-13)17-15(12-19)6-5-7-16(17)18(2,3)4/h5-12,19H,1-4H3/b19-12+
InChIKeyYTLWUEWDHNBDCL-XDHOZWIPSA-N
XLogP4.96
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.96
H-Bond Donors ≤ 51
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 [3-tert-butyl-2-(4-methylphenyl)phenyl]methanimine?
The IUPAC name of [3-tert-butyl-2-(4-methylphenyl)phenyl]methanimine (CID 18471696) is [3-tert-butyl-2-(4-methylphenyl)phenyl]methanimine.
What is the SMILES notation for [3-tert-butyl-2-(4-methylphenyl)phenyl]methanimine?
The canonical SMILES for [3-tert-butyl-2-(4-methylphenyl)phenyl]methanimine is [H]/N=C/c1cccc(C(C)(C)C)c1-c1ccc(C)cc1.
What is the InChIKey of [3-tert-butyl-2-(4-methylphenyl)phenyl]methanimine?
The InChIKey is YTLWUEWDHNBDCL-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H21N/c1-13-8-10-14(11-9-13)17-15(12-19)6-5-7-16(17)18(2,3)4/h5-12,19H,1-4H3/b19-12+.
What are the key properties of [3-tert-butyl-2-(4-methylphenyl)phenyl]methanimine?
[3-tert-butyl-2-(4-methylphenyl)phenyl]methanimine has a molecular weight of 251.37 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-tert-butyl-2-(4-methylphenyl)phenyl]methanimine is sourced from PubChem (CID 18471696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).