1-(2-chlorophenyl)-2-methoxyimino-N-methylcyclohexan-1-amine

C14H19ClN2O — CID 89315326

IUPAC1-(2-chlorophenyl)-2-methoxyimino-N-methylcyclohexan-1-amine
SMILESCNC1(c2ccccc2Cl)CCCCC1=NOC
InChIInChI=1S/C14H19ClN2O/c1-16-14(11-7-3-4-8-12(11)15)10-6-5-9-13(14)17-18-2/h3-4,7-8,16H,5-6,9-10H2,1-2H3
InChIKeyNLQHZXLLOPEHAD-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.33
Rot. Bonds3

About 1-(2-chlorophenyl)-2-methoxyimino-N-methylcyclohexan-1-amine

1-(2-chlorophenyl)-2-methoxyimino-N-methylcyclohexan-1-amine (PubChem CID 89315326) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-methoxyimino-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-methoxyimino-N-methylcyclohexan-1-amine
PubChem CID89315326
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name1-(2-chlorophenyl)-2-methoxyimino-N-methylcyclohexan-1-amine
SMILESCNC1(c2ccccc2Cl)CCCCC1=NOC
InChIInChI=1S/C14H19ClN2O/c1-16-14(11-7-3-4-8-12(11)15)10-6-5-9-13(14)17-18-2/h3-4,7-8,16H,5-6,9-10H2,1-2H3
InChIKeyNLQHZXLLOPEHAD-UHFFFAOYSA-N
XLogP3.33
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.33
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 1-(2-chlorophenyl)-2-methoxyimino-N-methylcyclohexan-1-amine?
The IUPAC name of 1-(2-chlorophenyl)-2-methoxyimino-N-methylcyclohexan-1-amine (CID 89315326) is 1-(2-chlorophenyl)-2-methoxyimino-N-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-2-methoxyimino-N-methylcyclohexan-1-amine?
The canonical SMILES for 1-(2-chlorophenyl)-2-methoxyimino-N-methylcyclohexan-1-amine is CNC1(c2ccccc2Cl)CCCCC1=NOC.
What is the InChIKey of 1-(2-chlorophenyl)-2-methoxyimino-N-methylcyclohexan-1-amine?
The InChIKey is NLQHZXLLOPEHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-16-14(11-7-3-4-8-12(11)15)10-6-5-9-13(14)17-18-2/h3-4,7-8,16H,5-6,9-10H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-2-methoxyimino-N-methylcyclohexan-1-amine?
1-(2-chlorophenyl)-2-methoxyimino-N-methylcyclohexan-1-amine has a molecular weight of 266.77 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-methoxyimino-N-methylcyclohexan-1-amine is sourced from PubChem (CID 89315326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).