1-(4-chlorophenyl)-N-cyclohexylmethanimine

C13H16ClN — CID 525685

IUPAC1-(4-chlorophenyl)-N-cyclohexylmethanimine
SMILESClc1ccc(/C=N/C2CCCCC2)cc1
InChIInChI=1S/C13H16ClN/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h6-10,13H,1-5H2/b15-10+
InChIKeyJAXKXTHEYAPNGE-XNTDXEJSSA-N
MW221.73 g/mol
LogP4.09
Rot. Bonds2

About 1-(4-chlorophenyl)-N-cyclohexylmethanimine

1-(4-chlorophenyl)-N-cyclohexylmethanimine (PubChem CID 525685) has the molecular formula C13H16ClN and a molecular weight of 221.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-cyclohexylmethanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-cyclohexylmethanimine
PubChem CID525685
Molecular FormulaC13H16ClN
Molecular Weight221.73 g/mol
Exact Mass221.10
IUPAC Name1-(4-chlorophenyl)-N-cyclohexylmethanimine
SMILESClc1ccc(/C=N/C2CCCCC2)cc1
InChIInChI=1S/C13H16ClN/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h6-10,13H,1-5H2/b15-10+
InChIKeyJAXKXTHEYAPNGE-XNTDXEJSSA-N
XLogP4.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 54.09
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-(4-chlorophenyl)-N-cyclohexylmethanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-cyclohexylmethanimine (CID 525685) is 1-(4-chlorophenyl)-N-cyclohexylmethanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-cyclohexylmethanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-cyclohexylmethanimine is Clc1ccc(/C=N/C2CCCCC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-cyclohexylmethanimine?
The InChIKey is JAXKXTHEYAPNGE-XNTDXEJSSA-N. The full InChI is InChI=1S/C13H16ClN/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h6-10,13H,1-5H2/b15-10+.
What are the key properties of 1-(4-chlorophenyl)-N-cyclohexylmethanimine?
1-(4-chlorophenyl)-N-cyclohexylmethanimine has a molecular weight of 221.73 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-cyclohexylmethanimine is sourced from PubChem (CID 525685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).