N-(4-tert-butylphenyl)-1-(4-methoxyphenyl)methanimine

C18H21NO — CID 2731901

IUPACN-(4-tert-butylphenyl)-1-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/C=N/c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C18H21NO/c1-18(2,3)15-7-9-16(10-8-15)19-13-14-5-11-17(20-4)12-6-14/h5-13H,1-4H3/b19-13+
InChIKeyQNXHZUOZZIUHEK-CPNJWEJPSA-N
MW267.37 g/mol
LogP4.74
Rot. Bonds3

About N-(4-tert-butylphenyl)-1-(4-methoxyphenyl)methanimine

N-(4-tert-butylphenyl)-1-(4-methoxyphenyl)methanimine (PubChem CID 2731901) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-1-(4-methoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-1-(4-methoxyphenyl)methanimine
PubChem CID2731901
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-(4-tert-butylphenyl)-1-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/C=N/c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C18H21NO/c1-18(2,3)15-7-9-16(10-8-15)19-13-14-5-11-17(20-4)12-6-14/h5-13H,1-4H3/b19-13+
InChIKeyQNXHZUOZZIUHEK-CPNJWEJPSA-N
XLogP4.74
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.74
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

(p-Methoxybenzylidene)-p-butylaniline
CID 33363
4-Butyloxybenzal-4-ethylaniline
CID 34683
N-(4-Methoxybenzylidene)-4-bromoaniline
CID 525699
N-(4-methoxybenzylidene)aniline
CID 98633
N-Benzylidene-p-anisidine
CID 262162
N-(4-Methoxybenzylidene)-P-toluidine
CID 288015
Phenol, 4-(((4-methoxyphenyl)methylene)amino)-
CID 97286
4-((4-Ethoxybenzylidene)amino)benzonitrile
CID 90598
4'-Ethoxybenzylidene-4-butylaniline
CID 94406
4-((4-Methoxybenzylidene)amino)benzonitrile
CID 114608
4-((4-(Hexyloxy)benzylidene)amino)benzonitrile
CID 118801
N-(4-Methoxybenzylidene)-P-phenetidine
CID 525700

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-1-(4-methoxyphenyl)methanimine?
The IUPAC name of N-(4-tert-butylphenyl)-1-(4-methoxyphenyl)methanimine (CID 2731901) is N-(4-tert-butylphenyl)-1-(4-methoxyphenyl)methanimine.
What is the SMILES notation for N-(4-tert-butylphenyl)-1-(4-methoxyphenyl)methanimine?
The canonical SMILES for N-(4-tert-butylphenyl)-1-(4-methoxyphenyl)methanimine is COc1ccc(/C=N/c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-1-(4-methoxyphenyl)methanimine?
The InChIKey is QNXHZUOZZIUHEK-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H21NO/c1-18(2,3)15-7-9-16(10-8-15)19-13-14-5-11-17(20-4)12-6-14/h5-13H,1-4H3/b19-13+.
What are the key properties of N-(4-tert-butylphenyl)-1-(4-methoxyphenyl)methanimine?
N-(4-tert-butylphenyl)-1-(4-methoxyphenyl)methanimine has a molecular weight of 267.37 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-1-(4-methoxyphenyl)methanimine is sourced from PubChem (CID 2731901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).