[4-[4-(2-methylbutyl)phenyl]phenyl]methanimine

C18H21N — CID 89416119

IUPAC[4-[4-(2-methylbutyl)phenyl]phenyl]methanimine
SMILES[H]/N=C/c1ccc(-c2ccc(CC(C)CC)cc2)cc1
InChIInChI=1S/C18H21N/c1-3-14(2)12-15-4-8-17(9-5-15)18-10-6-16(13-19)7-11-18/h4-11,13-14,19H,3,12H2,1-2H3/b19-13+
InChIKeyOHULRPCCYMOEFT-CPNJWEJPSA-N
MW251.37 g/mol
LogP4.94
Rot. Bonds5

About [4-[4-(2-methylbutyl)phenyl]phenyl]methanimine

[4-[4-(2-methylbutyl)phenyl]phenyl]methanimine (PubChem CID 89416119) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is [4-[4-(2-methylbutyl)phenyl]phenyl]methanimine.

Molecular Properties

Compound Name[4-[4-(2-methylbutyl)phenyl]phenyl]methanimine
PubChem CID89416119
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name[4-[4-(2-methylbutyl)phenyl]phenyl]methanimine
SMILES[H]/N=C/c1ccc(-c2ccc(CC(C)CC)cc2)cc1
InChIInChI=1S/C18H21N/c1-3-14(2)12-15-4-8-17(9-5-15)18-10-6-16(13-19)7-11-18/h4-11,13-14,19H,3,12H2,1-2H3/b19-13+
InChIKeyOHULRPCCYMOEFT-CPNJWEJPSA-N
XLogP4.94
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Para-tolualdehyde azine
CID 5337805
2-[(E)-[3-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]phenyl]methylideneamino]guanidine;dihydrochloride
CID 134136655
2-[(E)-[4-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]phenyl]methylideneamino]guanidine;dihydrochloride
CID 134137102
(NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methylidene]hydroxylamine
CID 142575088
(NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]cyclohexen-1-yl]methylidene]hydroxylamine
CID 142575120
2-Methylbenzaldehyde azine
CID 9580346
Hydrazinecarboximidamide, 2,2'-((1,1'-biphenyl)-4,4'-diyldimethylidyne)bis-, hydrochloride
CID 9577145
2-(4-Hexylphenyl)-2-phenylethanamine
CID 25138857
[(E)-3-(dimethylamino)-2-[4-(4-pentylphenyl)phenyl]prop-2-enylidene]-dimethylazanium
CID 45488530
3-Methylbenzaldehyde (3-methylbenzylidene)hydrazone
CID 6871278
1,2-bis[(E)-(4-propan-2-ylphenyl)methylideneamino]guanidine
CID 86279134
2-[(E)-(4-phenylphenyl)methylideneamino]guanidine;hydrochloride
CID 87880611

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-methylbutyl)phenyl]phenyl]methanimine?
The IUPAC name of [4-[4-(2-methylbutyl)phenyl]phenyl]methanimine (CID 89416119) is [4-[4-(2-methylbutyl)phenyl]phenyl]methanimine.
What is the SMILES notation for [4-[4-(2-methylbutyl)phenyl]phenyl]methanimine?
The canonical SMILES for [4-[4-(2-methylbutyl)phenyl]phenyl]methanimine is [H]/N=C/c1ccc(-c2ccc(CC(C)CC)cc2)cc1.
What is the InChIKey of [4-[4-(2-methylbutyl)phenyl]phenyl]methanimine?
The InChIKey is OHULRPCCYMOEFT-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H21N/c1-3-14(2)12-15-4-8-17(9-5-15)18-10-6-16(13-19)7-11-18/h4-11,13-14,19H,3,12H2,1-2H3/b19-13+.
What are the key properties of [4-[4-(2-methylbutyl)phenyl]phenyl]methanimine?
[4-[4-(2-methylbutyl)phenyl]phenyl]methanimine has a molecular weight of 251.37 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-methylbutyl)phenyl]phenyl]methanimine is sourced from PubChem (CID 89416119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).