(2E)-1-(2-chlorophenyl)-N-methyl-2-phenylmethoxyiminocyclohexan-1-amine

C20H23ClN2O — CID 140649030

IUPAC(2E)-1-(2-chlorophenyl)-N-methyl-2-phenylmethoxyiminocyclohexan-1-amine
SMILESCNC1(c2ccccc2Cl)CCCC/C1=N\OCc1ccccc1
InChIInChI=1S/C20H23ClN2O/c1-22-20(17-11-5-6-12-18(17)21)14-8-7-13-19(20)23-24-15-16-9-3-2-4-10-16/h2-6,9-12,22H,7-8,13-15H2,1H3/b23-19+
InChIKeyMNLFIQLULGHRMU-FCDQGJHFSA-N
MW342.87 g/mol
LogP4.90
Rot. Bonds5

About (2E)-1-(2-chlorophenyl)-N-methyl-2-phenylmethoxyiminocyclohexan-1-amine

(2E)-1-(2-chlorophenyl)-N-methyl-2-phenylmethoxyiminocyclohexan-1-amine (PubChem CID 140649030) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is (2E)-1-(2-chlorophenyl)-N-methyl-2-phenylmethoxyiminocyclohexan-1-amine.

Molecular Properties

Compound Name(2E)-1-(2-chlorophenyl)-N-methyl-2-phenylmethoxyiminocyclohexan-1-amine
PubChem CID140649030
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name(2E)-1-(2-chlorophenyl)-N-methyl-2-phenylmethoxyiminocyclohexan-1-amine
SMILESCNC1(c2ccccc2Cl)CCCC/C1=N\OCc1ccccc1
InChIInChI=1S/C20H23ClN2O/c1-22-20(17-11-5-6-12-18(17)21)14-8-7-13-19(20)23-24-15-16-9-3-2-4-10-16/h2-6,9-12,22H,7-8,13-15H2,1H3/b23-19+
InChIKeyMNLFIQLULGHRMU-FCDQGJHFSA-N
XLogP4.90
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2E)-1-(2-chlorophenyl)-N-methyl-2-phenylmethoxyiminocyclohexan-1-amine?
The IUPAC name of (2E)-1-(2-chlorophenyl)-N-methyl-2-phenylmethoxyiminocyclohexan-1-amine (CID 140649030) is (2E)-1-(2-chlorophenyl)-N-methyl-2-phenylmethoxyiminocyclohexan-1-amine.
What is the SMILES notation for (2E)-1-(2-chlorophenyl)-N-methyl-2-phenylmethoxyiminocyclohexan-1-amine?
The canonical SMILES for (2E)-1-(2-chlorophenyl)-N-methyl-2-phenylmethoxyiminocyclohexan-1-amine is CNC1(c2ccccc2Cl)CCCC/C1=N\OCc1ccccc1.
What is the InChIKey of (2E)-1-(2-chlorophenyl)-N-methyl-2-phenylmethoxyiminocyclohexan-1-amine?
The InChIKey is MNLFIQLULGHRMU-FCDQGJHFSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-22-20(17-11-5-6-12-18(17)21)14-8-7-13-19(20)23-24-15-16-9-3-2-4-10-16/h2-6,9-12,22H,7-8,13-15H2,1H3/b23-19+.
What are the key properties of (2E)-1-(2-chlorophenyl)-N-methyl-2-phenylmethoxyiminocyclohexan-1-amine?
(2E)-1-(2-chlorophenyl)-N-methyl-2-phenylmethoxyiminocyclohexan-1-amine has a molecular weight of 342.87 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-(2-chlorophenyl)-N-methyl-2-phenylmethoxyiminocyclohexan-1-amine is sourced from PubChem (CID 140649030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).