N-(2,4-dimethylphenyl)-1-naphthalen-1-ylmethanimine

C19H17N — CID 1381168

IUPACN-(2,4-dimethylphenyl)-1-naphthalen-1-ylmethanimine
SMILESCc1ccc(/N=C/c2cccc3ccccc23)c(C)c1
InChIInChI=1S/C19H17N/c1-14-10-11-19(15(2)12-14)20-13-17-8-5-7-16-6-3-4-9-18(16)17/h3-13H,1-2H3/b20-13+
InChIKeyGKMNOLULUAELKP-DEDYPNTBSA-N
MW259.35 g/mol
LogP5.21
Rot. Bonds2

About N-(2,4-dimethylphenyl)-1-naphthalen-1-ylmethanimine

N-(2,4-dimethylphenyl)-1-naphthalen-1-ylmethanimine (PubChem CID 1381168) has the molecular formula C19H17N and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-naphthalen-1-ylmethanimine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-naphthalen-1-ylmethanimine
PubChem CID1381168
Molecular FormulaC19H17N
Molecular Weight259.35 g/mol
Exact Mass259.14
IUPAC NameN-(2,4-dimethylphenyl)-1-naphthalen-1-ylmethanimine
SMILESCc1ccc(/N=C/c2cccc3ccccc23)c(C)c1
InChIInChI=1S/C19H17N/c1-14-10-11-19(15(2)12-14)20-13-17-8-5-7-16-6-3-4-9-18(16)17/h3-13H,1-2H3/b20-13+
InChIKeyGKMNOLULUAELKP-DEDYPNTBSA-N
XLogP5.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.35
LogP ≤ 55.21
H-Bond Donors ≤ 50
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 N-(2,4-dimethylphenyl)-1-naphthalen-1-ylmethanimine?
The IUPAC name of N-(2,4-dimethylphenyl)-1-naphthalen-1-ylmethanimine (CID 1381168) is N-(2,4-dimethylphenyl)-1-naphthalen-1-ylmethanimine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-naphthalen-1-ylmethanimine?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-naphthalen-1-ylmethanimine is Cc1ccc(/N=C/c2cccc3ccccc23)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-naphthalen-1-ylmethanimine?
The InChIKey is GKMNOLULUAELKP-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H17N/c1-14-10-11-19(15(2)12-14)20-13-17-8-5-7-16-6-3-4-9-18(16)17/h3-13H,1-2H3/b20-13+.
What are the key properties of N-(2,4-dimethylphenyl)-1-naphthalen-1-ylmethanimine?
N-(2,4-dimethylphenyl)-1-naphthalen-1-ylmethanimine has a molecular weight of 259.35 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-naphthalen-1-ylmethanimine is sourced from PubChem (CID 1381168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).