6-[(4-fluorophenyl)methylidene]-2-methyl-N-(2-morpholin-4-ylethoxy)cyclohexen-1-amine

C20H27FN2O2 — CID 57246196

IUPAC6-[(4-fluorophenyl)methylidene]-2-methyl-N-(2-morpholin-4-ylethoxy)cyclohexen-1-amine
SMILESCC1=C(NOCCN2CCOCC2)C(=Cc2ccc(F)cc2)CCC1
InChIInChI=1S/C20H27FN2O2/c1-16-3-2-4-18(15-17-5-7-19(21)8-6-17)20(16)22-25-14-11-23-9-12-24-13-10-23/h5-8,15,22H,2-4,9-14H2,1H3
InChIKeyZJWJLHIGCJNCPS-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.52
Rot. Bonds6

About 6-[(4-fluorophenyl)methylidene]-2-methyl-N-(2-morpholin-4-ylethoxy)cyclohexen-1-amine

6-[(4-fluorophenyl)methylidene]-2-methyl-N-(2-morpholin-4-ylethoxy)cyclohexen-1-amine (PubChem CID 57246196) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methylidene]-2-methyl-N-(2-morpholin-4-ylethoxy)cyclohexen-1-amine.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methylidene]-2-methyl-N-(2-morpholin-4-ylethoxy)cyclohexen-1-amine
PubChem CID57246196
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC Name6-[(4-fluorophenyl)methylidene]-2-methyl-N-(2-morpholin-4-ylethoxy)cyclohexen-1-amine
SMILESCC1=C(NOCCN2CCOCC2)C(=Cc2ccc(F)cc2)CCC1
InChIInChI=1S/C20H27FN2O2/c1-16-3-2-4-18(15-17-5-7-19(21)8-6-17)20(16)22-25-14-11-23-9-12-24-13-10-23/h5-8,15,22H,2-4,9-14H2,1H3
InChIKeyZJWJLHIGCJNCPS-UHFFFAOYSA-N
XLogP3.52
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 6-[(4-fluorophenyl)methylidene]-2-methyl-N-(2-morpholin-4-ylethoxy)cyclohexen-1-amine?
The IUPAC name of 6-[(4-fluorophenyl)methylidene]-2-methyl-N-(2-morpholin-4-ylethoxy)cyclohexen-1-amine (CID 57246196) is 6-[(4-fluorophenyl)methylidene]-2-methyl-N-(2-morpholin-4-ylethoxy)cyclohexen-1-amine.
What is the SMILES notation for 6-[(4-fluorophenyl)methylidene]-2-methyl-N-(2-morpholin-4-ylethoxy)cyclohexen-1-amine?
The canonical SMILES for 6-[(4-fluorophenyl)methylidene]-2-methyl-N-(2-morpholin-4-ylethoxy)cyclohexen-1-amine is CC1=C(NOCCN2CCOCC2)C(=Cc2ccc(F)cc2)CCC1.
What is the InChIKey of 6-[(4-fluorophenyl)methylidene]-2-methyl-N-(2-morpholin-4-ylethoxy)cyclohexen-1-amine?
The InChIKey is ZJWJLHIGCJNCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2/c1-16-3-2-4-18(15-17-5-7-19(21)8-6-17)20(16)22-25-14-11-23-9-12-24-13-10-23/h5-8,15,22H,2-4,9-14H2,1H3.
What are the key properties of 6-[(4-fluorophenyl)methylidene]-2-methyl-N-(2-morpholin-4-ylethoxy)cyclohexen-1-amine?
6-[(4-fluorophenyl)methylidene]-2-methyl-N-(2-morpholin-4-ylethoxy)cyclohexen-1-amine has a molecular weight of 346.45 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methylidene]-2-methyl-N-(2-morpholin-4-ylethoxy)cyclohexen-1-amine is sourced from PubChem (CID 57246196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).