1-(4-tert-butylphenyl)-N-naphthalen-2-ylmethanimine

C21H21N — CID 5031678

IUPAC1-(4-tert-butylphenyl)-N-naphthalen-2-ylmethanimine
SMILESCC(C)(C)c1ccc(/C=N/c2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H21N/c1-21(2,3)19-11-8-16(9-12-19)15-22-20-13-10-17-6-4-5-7-18(17)14-20/h4-15H,1-3H3/b22-15+
InChIKeyHFKZELBYFFYEJK-PXLXIMEGSA-N
MW287.41 g/mol
LogP5.89
Rot. Bonds2

About 1-(4-tert-butylphenyl)-N-naphthalen-2-ylmethanimine

1-(4-tert-butylphenyl)-N-naphthalen-2-ylmethanimine (PubChem CID 5031678) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-naphthalen-2-ylmethanimine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-naphthalen-2-ylmethanimine
PubChem CID5031678
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC Name1-(4-tert-butylphenyl)-N-naphthalen-2-ylmethanimine
SMILESCC(C)(C)c1ccc(/C=N/c2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H21N/c1-21(2,3)19-11-8-16(9-12-19)15-22-20-13-10-17-6-4-5-7-18(17)14-20/h4-15H,1-3H3/b22-15+
InChIKeyHFKZELBYFFYEJK-PXLXIMEGSA-N
XLogP5.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.41
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(Benzylideneamino)fluorene
CID 139644
N,N'-Terephthalylidenebis(4-butylaniline)
CID 141503
N-Benzylidene-2-naphthylamine
CID 300779
N,N-Dimethyl-alpha-(1-naphthylimino)-para-toluidine
CID 623702
N-(1-naphthyl)-N-(phenylmethylene)amine
CID 1201463
N,N'-Bisbenzylidenebenzidine
CID 238698
N-(9-Anthracenylmethylene)-P-toluidine
CID 4231994
N-Benzylidene-4-biphenylamine
CID 292639
9-(Phenyliminomethyl)anthracene
CID 624492
N-(9-Anthracenylmethylene)-2,4,6-trimethylaniline
CID 4644899
Benzenamine, N-[[4-(1-methylethyl)phenyl]methylene]-
CID 4393045
N,N'-Terephthalylidenebis(3,5-dimethylaniline)
CID 318586

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-naphthalen-2-ylmethanimine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-naphthalen-2-ylmethanimine (CID 5031678) is 1-(4-tert-butylphenyl)-N-naphthalen-2-ylmethanimine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-naphthalen-2-ylmethanimine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-naphthalen-2-ylmethanimine is CC(C)(C)c1ccc(/C=N/c2ccc3ccccc3c2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-naphthalen-2-ylmethanimine?
The InChIKey is HFKZELBYFFYEJK-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H21N/c1-21(2,3)19-11-8-16(9-12-19)15-22-20-13-10-17-6-4-5-7-18(17)14-20/h4-15H,1-3H3/b22-15+.
What are the key properties of 1-(4-tert-butylphenyl)-N-naphthalen-2-ylmethanimine?
1-(4-tert-butylphenyl)-N-naphthalen-2-ylmethanimine has a molecular weight of 287.41 g/mol, XLogP of 5.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-naphthalen-2-ylmethanimine is sourced from PubChem (CID 5031678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).