2-tert-butyl-6-[(5-methyl-3-pyridinyl)iminomethyl]phenol

C17H20N2O — CID 139204501

IUPAC2-tert-butyl-6-[(5-methyl-3-pyridinyl)iminomethyl]phenol
SMILESCc1cncc(/N=C/c2cccc(C(C)(C)C)c2O)c1
InChIInChI=1S/C17H20N2O/c1-12-8-14(11-18-9-12)19-10-13-6-5-7-15(16(13)20)17(2,3)4/h5-11,20H,1-4H3/b19-10+
InChIKeyZBNBLWXRSJOGPM-VXLYETTFSA-N
MW268.36 g/mol
LogP4.14
Rot. Bonds2

About 2-tert-butyl-6-[(5-methyl-3-pyridinyl)iminomethyl]phenol

2-tert-butyl-6-[(5-methyl-3-pyridinyl)iminomethyl]phenol (PubChem CID 139204501) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-tert-butyl-6-[(5-methyl-3-pyridinyl)iminomethyl]phenol.

Molecular Properties

Compound Name2-tert-butyl-6-[(5-methyl-3-pyridinyl)iminomethyl]phenol
PubChem CID139204501
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-tert-butyl-6-[(5-methyl-3-pyridinyl)iminomethyl]phenol
SMILESCc1cncc(/N=C/c2cccc(C(C)(C)C)c2O)c1
InChIInChI=1S/C17H20N2O/c1-12-8-14(11-18-9-12)19-10-13-6-5-7-15(16(13)20)17(2,3)4/h5-11,20H,1-4H3/b19-10+
InChIKeyZBNBLWXRSJOGPM-VXLYETTFSA-N
XLogP4.14
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-tert-butyl-6-[(5-methyl-3-pyridinyl)iminomethyl]phenol?
The IUPAC name of 2-tert-butyl-6-[(5-methyl-3-pyridinyl)iminomethyl]phenol (CID 139204501) is 2-tert-butyl-6-[(5-methyl-3-pyridinyl)iminomethyl]phenol.
What is the SMILES notation for 2-tert-butyl-6-[(5-methyl-3-pyridinyl)iminomethyl]phenol?
The canonical SMILES for 2-tert-butyl-6-[(5-methyl-3-pyridinyl)iminomethyl]phenol is Cc1cncc(/N=C/c2cccc(C(C)(C)C)c2O)c1.
What is the InChIKey of 2-tert-butyl-6-[(5-methyl-3-pyridinyl)iminomethyl]phenol?
The InChIKey is ZBNBLWXRSJOGPM-VXLYETTFSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-8-14(11-18-9-12)19-10-13-6-5-7-15(16(13)20)17(2,3)4/h5-11,20H,1-4H3/b19-10+.
What are the key properties of 2-tert-butyl-6-[(5-methyl-3-pyridinyl)iminomethyl]phenol?
2-tert-butyl-6-[(5-methyl-3-pyridinyl)iminomethyl]phenol has a molecular weight of 268.36 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[(5-methyl-3-pyridinyl)iminomethyl]phenol is sourced from PubChem (CID 139204501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).