6-[(4-chlorophenyl)methylidene]-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine

C18H25ClN2O — CID 56613448

IUPAC6-[(4-chlorophenyl)methylidene]-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine
SMILESCC(C)NCCONC1=CCCCC1=Cc1ccc(Cl)cc1
InChIInChI=1S/C18H25ClN2O/c1-14(2)20-11-12-22-21-18-6-4-3-5-16(18)13-15-7-9-17(19)10-8-15/h6-10,13-14,20-21H,3-5,11-12H2,1-2H3
InChIKeyPKDJRYTVOIZVEQ-UHFFFAOYSA-N
MW320.86 g/mol
LogP4.31
Rot. Bonds7

About 6-[(4-chlorophenyl)methylidene]-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine

6-[(4-chlorophenyl)methylidene]-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine (PubChem CID 56613448) has the molecular formula C18H25ClN2O and a molecular weight of 320.86 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methylidene]-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methylidene]-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine
PubChem CID56613448
Molecular FormulaC18H25ClN2O
Molecular Weight320.86 g/mol
Exact Mass320.17
IUPAC Name6-[(4-chlorophenyl)methylidene]-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine
SMILESCC(C)NCCONC1=CCCCC1=Cc1ccc(Cl)cc1
InChIInChI=1S/C18H25ClN2O/c1-14(2)20-11-12-22-21-18-6-4-3-5-16(18)13-15-7-9-17(19)10-8-15/h6-10,13-14,20-21H,3-5,11-12H2,1-2H3
InChIKeyPKDJRYTVOIZVEQ-UHFFFAOYSA-N
XLogP4.31
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine
CID 3046188
1-[2-(4-chlorophenyl)ethyl]-N-(2-methoxyethyl)piperidin-4-amine
CID 24731539
N-[2-[(E)-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxyethyl]propan-2-amine
CID 15124207
N-[2-[[2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino]oxyethyl]propan-2-amine
CID 53922189
6-[(4-chlorophenyl)methylidene]-N-[3-[di(propan-2-yl)amino]propoxy]cyclohexen-1-amine
CID 56620931
6-benzylidene-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine
CID 56635333
1-(4-chlorophenyl)-N-(3-piperidin-1-ylpropoxy)hepta-1,3-dien-3-amine
CID 56976968
6-[(4-chlorophenyl)methylidene]-N-[2-[di(propan-2-yl)amino]ethoxy]-2-methylcyclohexen-1-amine
CID 56982194
2-butyl-6-[(4-chlorophenyl)methylidene]-N-[2-[(2R)-morpholin-2-yl]ethoxy]cyclohexen-1-amine
CID 56989812
1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)ethenamine
CID 57002362
1-(4-chlorophenyl)-N-[2-(dimethylamino)ethoxy]ethenamine
CID 57017294
1-(4-chlorophenyl)-6-methyl-N-(3-pyrrolidin-1-ylpropoxy)hepta-1,3-dien-3-amine
CID 57018728

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methylidene]-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine?
The IUPAC name of 6-[(4-chlorophenyl)methylidene]-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine (CID 56613448) is 6-[(4-chlorophenyl)methylidene]-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine.
What is the SMILES notation for 6-[(4-chlorophenyl)methylidene]-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine?
The canonical SMILES for 6-[(4-chlorophenyl)methylidene]-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine is CC(C)NCCONC1=CCCCC1=Cc1ccc(Cl)cc1.
What is the InChIKey of 6-[(4-chlorophenyl)methylidene]-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine?
The InChIKey is PKDJRYTVOIZVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O/c1-14(2)20-11-12-22-21-18-6-4-3-5-16(18)13-15-7-9-17(19)10-8-15/h6-10,13-14,20-21H,3-5,11-12H2,1-2H3.
What are the key properties of 6-[(4-chlorophenyl)methylidene]-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine?
6-[(4-chlorophenyl)methylidene]-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine has a molecular weight of 320.86 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methylidene]-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine is sourced from PubChem (CID 56613448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).