(Z)-3-chloro-N-(3-methylphenyl)-3-naphthalen-2-ylprop-2-en-1-imine;hydrochloride

C20H17Cl2N — CID 5473042

IUPAC(Z)-3-chloro-N-(3-methylphenyl)-3-naphthalen-2-ylprop-2-en-1-imine;hydrochloride
SMILESCc1cccc(/N=C/C=C(\Cl)c2ccc3ccccc3c2)c1.Cl
InChIInChI=1S/C20H16ClN.ClH/c1-15-5-4-8-19(13-15)22-12-11-20(21)18-10-9-16-6-2-3-7-17(16)14-18;/h2-14H,1H3;1H/b20-11-,22-12+;
InChIKeyGUYSJNIZVGBVPA-KGNHYKGKSA-N
MW342.27 g/mol
LogP6.55
Rot. Bonds3

About (Z)-3-chloro-N-(3-methylphenyl)-3-naphthalen-2-ylprop-2-en-1-imine;hydrochloride

(Z)-3-chloro-N-(3-methylphenyl)-3-naphthalen-2-ylprop-2-en-1-imine;hydrochloride (PubChem CID 5473042) has the molecular formula C20H17Cl2N and a molecular weight of 342.27 g/mol. Its IUPAC name is (Z)-3-chloro-N-(3-methylphenyl)-3-naphthalen-2-ylprop-2-en-1-imine;hydrochloride.

Molecular Properties

Compound Name(Z)-3-chloro-N-(3-methylphenyl)-3-naphthalen-2-ylprop-2-en-1-imine;hydrochloride
PubChem CID5473042
Molecular FormulaC20H17Cl2N
Molecular Weight342.27 g/mol
Exact Mass341.07
IUPAC Name(Z)-3-chloro-N-(3-methylphenyl)-3-naphthalen-2-ylprop-2-en-1-imine;hydrochloride
SMILESCc1cccc(/N=C/C=C(\Cl)c2ccc3ccccc3c2)c1.Cl
InChIInChI=1S/C20H16ClN.ClH/c1-15-5-4-8-19(13-15)22-12-11-20(21)18-10-9-16-6-2-3-7-17(16)14-18;/h2-14H,1H3;1H/b20-11-,22-12+;
InChIKeyGUYSJNIZVGBVPA-KGNHYKGKSA-N
XLogP6.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.27
LogP ≤ 56.55
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 (Z)-3-chloro-N-(3-methylphenyl)-3-naphthalen-2-ylprop-2-en-1-imine;hydrochloride?
The IUPAC name of (Z)-3-chloro-N-(3-methylphenyl)-3-naphthalen-2-ylprop-2-en-1-imine;hydrochloride (CID 5473042) is (Z)-3-chloro-N-(3-methylphenyl)-3-naphthalen-2-ylprop-2-en-1-imine;hydrochloride.
What is the SMILES notation for (Z)-3-chloro-N-(3-methylphenyl)-3-naphthalen-2-ylprop-2-en-1-imine;hydrochloride?
The canonical SMILES for (Z)-3-chloro-N-(3-methylphenyl)-3-naphthalen-2-ylprop-2-en-1-imine;hydrochloride is Cc1cccc(/N=C/C=C(\Cl)c2ccc3ccccc3c2)c1.Cl.
What is the InChIKey of (Z)-3-chloro-N-(3-methylphenyl)-3-naphthalen-2-ylprop-2-en-1-imine;hydrochloride?
The InChIKey is GUYSJNIZVGBVPA-KGNHYKGKSA-N. The full InChI is InChI=1S/C20H16ClN.ClH/c1-15-5-4-8-19(13-15)22-12-11-20(21)18-10-9-16-6-2-3-7-17(16)14-18;/h2-14H,1H3;1H/b20-11-,22-12+;.
What are the key properties of (Z)-3-chloro-N-(3-methylphenyl)-3-naphthalen-2-ylprop-2-en-1-imine;hydrochloride?
(Z)-3-chloro-N-(3-methylphenyl)-3-naphthalen-2-ylprop-2-en-1-imine;hydrochloride has a molecular weight of 342.27 g/mol, XLogP of 6.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloro-N-(3-methylphenyl)-3-naphthalen-2-ylprop-2-en-1-imine;hydrochloride is sourced from PubChem (CID 5473042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).