(E)-N-[(2-chlorophenyl)methoxy]-1-cyclohexylmethanimine

C14H18ClNO — CID 177448995

IUPAC(E)-N-[(2-chlorophenyl)methoxy]-1-cyclohexylmethanimine
SMILESClc1ccccc1CO/N=C/C1CCCCC1
InChIInChI=1S/C14H18ClNO/c15-14-9-5-4-8-13(14)11-17-16-10-12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2/b16-10+
InChIKeyQLFXAIMDESCUGS-MHWRWJLKSA-N
MW251.76 g/mol
LogP4.42
Rot. Bonds4

About (E)-N-[(2-chlorophenyl)methoxy]-1-cyclohexylmethanimine

(E)-N-[(2-chlorophenyl)methoxy]-1-cyclohexylmethanimine (PubChem CID 177448995) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is (E)-N-[(2-chlorophenyl)methoxy]-1-cyclohexylmethanimine.

Molecular Properties

Compound Name(E)-N-[(2-chlorophenyl)methoxy]-1-cyclohexylmethanimine
PubChem CID177448995
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name(E)-N-[(2-chlorophenyl)methoxy]-1-cyclohexylmethanimine
SMILESClc1ccccc1CO/N=C/C1CCCCC1
InChIInChI=1S/C14H18ClNO/c15-14-9-5-4-8-13(14)11-17-16-10-12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2/b16-10+
InChIKeyQLFXAIMDESCUGS-MHWRWJLKSA-N
XLogP4.42
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2-chlorophenyl)methoxy]-1-cyclohexylmethanimine?
The IUPAC name of (E)-N-[(2-chlorophenyl)methoxy]-1-cyclohexylmethanimine (CID 177448995) is (E)-N-[(2-chlorophenyl)methoxy]-1-cyclohexylmethanimine.
What is the SMILES notation for (E)-N-[(2-chlorophenyl)methoxy]-1-cyclohexylmethanimine?
The canonical SMILES for (E)-N-[(2-chlorophenyl)methoxy]-1-cyclohexylmethanimine is Clc1ccccc1CO/N=C/C1CCCCC1.
What is the InChIKey of (E)-N-[(2-chlorophenyl)methoxy]-1-cyclohexylmethanimine?
The InChIKey is QLFXAIMDESCUGS-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H18ClNO/c15-14-9-5-4-8-13(14)11-17-16-10-12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2/b16-10+.
What are the key properties of (E)-N-[(2-chlorophenyl)methoxy]-1-cyclohexylmethanimine?
(E)-N-[(2-chlorophenyl)methoxy]-1-cyclohexylmethanimine has a molecular weight of 251.76 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2-chlorophenyl)methoxy]-1-cyclohexylmethanimine is sourced from PubChem (CID 177448995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).