1-(2,6-dichlorophenyl)-N-naphthalen-1-ylmethanimine

C17H11Cl2N — CID 627013

IUPAC1-(2,6-dichlorophenyl)-N-naphthalen-1-ylmethanimine
SMILESClc1cccc(Cl)c1/C=N/c1cccc2ccccc12
InChIInChI=1S/C17H11Cl2N/c18-15-8-4-9-16(19)14(15)11-20-17-10-3-6-12-5-1-2-7-13(12)17/h1-11H/b20-11+
InChIKeyCHGVWSPMTHODKP-RGVLZGJSSA-N
MW300.19 g/mol
LogP5.90
Rot. Bonds2

About 1-(2,6-dichlorophenyl)-N-naphthalen-1-ylmethanimine

1-(2,6-dichlorophenyl)-N-naphthalen-1-ylmethanimine (PubChem CID 627013) has the molecular formula C17H11Cl2N and a molecular weight of 300.19 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-naphthalen-1-ylmethanimine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-naphthalen-1-ylmethanimine
PubChem CID627013
Molecular FormulaC17H11Cl2N
Molecular Weight300.19 g/mol
Exact Mass299.03
IUPAC Name1-(2,6-dichlorophenyl)-N-naphthalen-1-ylmethanimine
SMILESClc1cccc(Cl)c1/C=N/c1cccc2ccccc12
InChIInChI=1S/C17H11Cl2N/c18-15-8-4-9-16(19)14(15)11-20-17-10-3-6-12-5-1-2-7-13(12)17/h1-11H/b20-11+
InChIKeyCHGVWSPMTHODKP-RGVLZGJSSA-N
XLogP5.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.19
LogP ≤ 55.90
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 1-(2,6-dichlorophenyl)-N-naphthalen-1-ylmethanimine?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-naphthalen-1-ylmethanimine (CID 627013) is 1-(2,6-dichlorophenyl)-N-naphthalen-1-ylmethanimine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-naphthalen-1-ylmethanimine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-naphthalen-1-ylmethanimine is Clc1cccc(Cl)c1/C=N/c1cccc2ccccc12.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-naphthalen-1-ylmethanimine?
The InChIKey is CHGVWSPMTHODKP-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H11Cl2N/c18-15-8-4-9-16(19)14(15)11-20-17-10-3-6-12-5-1-2-7-13(12)17/h1-11H/b20-11+.
What are the key properties of 1-(2,6-dichlorophenyl)-N-naphthalen-1-ylmethanimine?
1-(2,6-dichlorophenyl)-N-naphthalen-1-ylmethanimine has a molecular weight of 300.19 g/mol, XLogP of 5.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-naphthalen-1-ylmethanimine is sourced from PubChem (CID 627013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).