(3,5-dimethylphenyl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride

C26H24ClN — CID 5351940

IUPAC(3,5-dimethylphenyl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride
SMILESCl.[H]/N=C(\c1cc(C)cc(C)c1)c1ccccc1Cc1cccc2ccccc12
InChIInChI=1S/C26H23N.ClH/c1-18-14-19(2)16-23(15-18)26(27)25-13-6-4-9-22(25)17-21-11-7-10-20-8-3-5-12-24(20)21;/h3-16,27H,17H2,1-2H3;1H/b27-26+;
InChIKeyWOMKVSGMAMIPRV-JGUILPGDSA-N
MW385.94 g/mol
LogP6.89
Rot. Bonds4

About (3,5-dimethylphenyl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride

(3,5-dimethylphenyl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride (PubChem CID 5351940) has the molecular formula C26H24ClN and a molecular weight of 385.94 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride
PubChem CID5351940
Molecular FormulaC26H24ClN
Molecular Weight385.94 g/mol
Exact Mass385.16
IUPAC Name(3,5-dimethylphenyl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride
SMILESCl.[H]/N=C(\c1cc(C)cc(C)c1)c1ccccc1Cc1cccc2ccccc12
InChIInChI=1S/C26H23N.ClH/c1-18-14-19(2)16-23(15-18)26(27)25-13-6-4-9-22(25)17-21-11-7-10-20-8-3-5-12-24(20)21;/h3-16,27H,17H2,1-2H3;1H/b27-26+;
InChIKeyWOMKVSGMAMIPRV-JGUILPGDSA-N
XLogP6.89
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.94
LogP ≤ 56.89
H-Bond Donors ≤ 51
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 (3,5-dimethylphenyl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride?
The IUPAC name of (3,5-dimethylphenyl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride (CID 5351940) is (3,5-dimethylphenyl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride.
What is the SMILES notation for (3,5-dimethylphenyl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride?
The canonical SMILES for (3,5-dimethylphenyl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride is Cl.[H]/N=C(\c1cc(C)cc(C)c1)c1ccccc1Cc1cccc2ccccc12.
What is the InChIKey of (3,5-dimethylphenyl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride?
The InChIKey is WOMKVSGMAMIPRV-JGUILPGDSA-N. The full InChI is InChI=1S/C26H23N.ClH/c1-18-14-19(2)16-23(15-18)26(27)25-13-6-4-9-22(25)17-21-11-7-10-20-8-3-5-12-24(20)21;/h3-16,27H,17H2,1-2H3;1H/b27-26+;.
What are the key properties of (3,5-dimethylphenyl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride?
(3,5-dimethylphenyl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride has a molecular weight of 385.94 g/mol, XLogP of 6.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride is sourced from PubChem (CID 5351940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).