(4-methylnaphthalen-1-yl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride

C29H24ClN — CID 5351941

IUPAC(4-methylnaphthalen-1-yl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride
SMILESCl.[H]/N=C(\c1ccccc1Cc1cccc2ccccc12)c1ccc(C)c2ccccc12
InChIInChI=1S/C29H23N.ClH/c1-20-17-18-28(27-16-7-6-13-24(20)27)29(30)26-15-5-3-10-23(26)19-22-12-8-11-21-9-2-4-14-25(21)22;/h2-18,30H,19H2,1H3;1H/b30-29+;
InChIKeyKPUQMLLFJPIATQ-BXGDTPBJSA-N
MW421.97 g/mol
LogP7.73
Rot. Bonds4

About (4-methylnaphthalen-1-yl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride

(4-methylnaphthalen-1-yl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride (PubChem CID 5351941) has the molecular formula C29H24ClN and a molecular weight of 421.97 g/mol. Its IUPAC name is (4-methylnaphthalen-1-yl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride.

Molecular Properties

Compound Name(4-methylnaphthalen-1-yl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride
PubChem CID5351941
Molecular FormulaC29H24ClN
Molecular Weight421.97 g/mol
Exact Mass421.16
IUPAC Name(4-methylnaphthalen-1-yl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride
SMILESCl.[H]/N=C(\c1ccccc1Cc1cccc2ccccc12)c1ccc(C)c2ccccc12
InChIInChI=1S/C29H23N.ClH/c1-20-17-18-28(27-16-7-6-13-24(20)27)29(30)26-15-5-3-10-23(26)19-22-12-8-11-21-9-2-4-14-25(21)22;/h2-18,30H,19H2,1H3;1H/b30-29+;
InChIKeyKPUQMLLFJPIATQ-BXGDTPBJSA-N
XLogP7.73
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.97
LogP ≤ 57.73
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 (4-methylnaphthalen-1-yl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride?
The IUPAC name of (4-methylnaphthalen-1-yl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride (CID 5351941) is (4-methylnaphthalen-1-yl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride.
What is the SMILES notation for (4-methylnaphthalen-1-yl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride?
The canonical SMILES for (4-methylnaphthalen-1-yl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride is Cl.[H]/N=C(\c1ccccc1Cc1cccc2ccccc12)c1ccc(C)c2ccccc12.
What is the InChIKey of (4-methylnaphthalen-1-yl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride?
The InChIKey is KPUQMLLFJPIATQ-BXGDTPBJSA-N. The full InChI is InChI=1S/C29H23N.ClH/c1-20-17-18-28(27-16-7-6-13-24(20)27)29(30)26-15-5-3-10-23(26)19-22-12-8-11-21-9-2-4-14-25(21)22;/h2-18,30H,19H2,1H3;1H/b30-29+;.
What are the key properties of (4-methylnaphthalen-1-yl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride?
(4-methylnaphthalen-1-yl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride has a molecular weight of 421.97 g/mol, XLogP of 7.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylnaphthalen-1-yl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride is sourced from PubChem (CID 5351941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).