6-[(3,4-dichlorophenyl)methylidene]-N-[2-(diethylamino)ethoxy]-2-methylcyclohexen-1-amine

C20H28Cl2N2O — CID 57108112

IUPAC6-[(3,4-dichlorophenyl)methylidene]-N-[2-(diethylamino)ethoxy]-2-methylcyclohexen-1-amine
SMILESCCN(CC)CCONC1=C(C)CCCC1=Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H28Cl2N2O/c1-4-24(5-2)11-12-25-23-20-15(3)7-6-8-17(20)13-16-9-10-18(21)19(22)14-16/h9-10,13-14,23H,4-8,11-12H2,1-3H3
InChIKeyYIEYEFQELOSPCL-UHFFFAOYSA-N
MW383.36 g/mol
LogP5.70
Rot. Bonds8

About 6-[(3,4-dichlorophenyl)methylidene]-N-[2-(diethylamino)ethoxy]-2-methylcyclohexen-1-amine

6-[(3,4-dichlorophenyl)methylidene]-N-[2-(diethylamino)ethoxy]-2-methylcyclohexen-1-amine (PubChem CID 57108112) has the molecular formula C20H28Cl2N2O and a molecular weight of 383.36 g/mol. Its IUPAC name is 6-[(3,4-dichlorophenyl)methylidene]-N-[2-(diethylamino)ethoxy]-2-methylcyclohexen-1-amine.

Molecular Properties

Compound Name6-[(3,4-dichlorophenyl)methylidene]-N-[2-(diethylamino)ethoxy]-2-methylcyclohexen-1-amine
PubChem CID57108112
Molecular FormulaC20H28Cl2N2O
Molecular Weight383.36 g/mol
Exact Mass382.16
IUPAC Name6-[(3,4-dichlorophenyl)methylidene]-N-[2-(diethylamino)ethoxy]-2-methylcyclohexen-1-amine
SMILESCCN(CC)CCONC1=C(C)CCCC1=Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H28Cl2N2O/c1-4-24(5-2)11-12-25-23-20-15(3)7-6-8-17(20)13-16-9-10-18(21)19(22)14-16/h9-10,13-14,23H,4-8,11-12H2,1-3H3
InChIKeyYIEYEFQELOSPCL-UHFFFAOYSA-N
XLogP5.70
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.36
LogP ≤ 55.70
H-Bond Donors ≤ 51
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

n-(3,4-Dichlorobenzyl)-o-(3-morpholin-4-yl-propyl)-hydroxylamine
CID 21947422
6-[(4-chlorophenyl)methylidene]-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine
CID 56613448
6-[(4-chlorophenyl)methylidene]-N-[3-[di(propan-2-yl)amino]propoxy]cyclohexen-1-amine
CID 56620931
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
1-(4-chlorophenyl)-N-[2-(dimethylamino)ethoxy]ethenamine
CID 57017294
(2S)-1-(butylamino)-3-[[2-[(3,4-dichlorophenyl)methyl]cyclohexen-1-yl]amino]oxypropan-2-ol
CID 57026485
1-(4-chlorophenyl)-N-[2-(diethylamino)ethoxy]penta-1,3-dien-3-amine
CID 57037626
1-(4-chlorophenyl)-N-[2-(dimethylamino)ethoxy]penta-1,3-dien-3-amine
CID 57038779
5-[1-(3,4-dichlorophenyl)ethenyl]-N-[3-(dimethylamino)propoxy]-3,3-dimethylcyclohexa-1,5-dien-1-amine
CID 57060596
5-[1-(4-chlorophenyl)ethenyl]-N-[2-(diethylamino)ethoxy]-3,3-dimethylcyclohexa-1,5-dien-1-amine
CID 57061223
7-[(4-chlorophenyl)methylidene]-N-[2-(diethylamino)ethoxy]-2-propylcyclohepten-1-amine
CID 57063762

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-dichlorophenyl)methylidene]-N-[2-(diethylamino)ethoxy]-2-methylcyclohexen-1-amine?
The IUPAC name of 6-[(3,4-dichlorophenyl)methylidene]-N-[2-(diethylamino)ethoxy]-2-methylcyclohexen-1-amine (CID 57108112) is 6-[(3,4-dichlorophenyl)methylidene]-N-[2-(diethylamino)ethoxy]-2-methylcyclohexen-1-amine.
What is the SMILES notation for 6-[(3,4-dichlorophenyl)methylidene]-N-[2-(diethylamino)ethoxy]-2-methylcyclohexen-1-amine?
The canonical SMILES for 6-[(3,4-dichlorophenyl)methylidene]-N-[2-(diethylamino)ethoxy]-2-methylcyclohexen-1-amine is CCN(CC)CCONC1=C(C)CCCC1=Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 6-[(3,4-dichlorophenyl)methylidene]-N-[2-(diethylamino)ethoxy]-2-methylcyclohexen-1-amine?
The InChIKey is YIEYEFQELOSPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28Cl2N2O/c1-4-24(5-2)11-12-25-23-20-15(3)7-6-8-17(20)13-16-9-10-18(21)19(22)14-16/h9-10,13-14,23H,4-8,11-12H2,1-3H3.
What are the key properties of 6-[(3,4-dichlorophenyl)methylidene]-N-[2-(diethylamino)ethoxy]-2-methylcyclohexen-1-amine?
6-[(3,4-dichlorophenyl)methylidene]-N-[2-(diethylamino)ethoxy]-2-methylcyclohexen-1-amine has a molecular weight of 383.36 g/mol, XLogP of 5.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-dichlorophenyl)methylidene]-N-[2-(diethylamino)ethoxy]-2-methylcyclohexen-1-amine is sourced from PubChem (CID 57108112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).