1-(4-chlorophenyl)-N-[2-(dimethylamino)ethoxy]ethenamine

C12H17ClN2O — CID 57017294

IUPAC1-(4-chlorophenyl)-N-[2-(dimethylamino)ethoxy]ethenamine
SMILESC=C(NOCCN(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O/c1-10(14-16-9-8-15(2)3)11-4-6-12(13)7-5-11/h4-7,14H,1,8-9H2,2-3H3
InChIKeyLTWMTDKVCIVYSK-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.39
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[2-(dimethylamino)ethoxy]ethenamine

1-(4-chlorophenyl)-N-[2-(dimethylamino)ethoxy]ethenamine (PubChem CID 57017294) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(dimethylamino)ethoxy]ethenamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(dimethylamino)ethoxy]ethenamine
PubChem CID57017294
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name1-(4-chlorophenyl)-N-[2-(dimethylamino)ethoxy]ethenamine
SMILESC=C(NOCCN(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O/c1-10(14-16-9-8-15(2)3)11-4-6-12(13)7-5-11/h4-7,14H,1,8-9H2,2-3H3
InChIKeyLTWMTDKVCIVYSK-UHFFFAOYSA-N
XLogP2.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.39
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

[(4-Chlorophenyl)methyl](methoxy)amine
CID 12482322
1-(4-chloro-3-fluorophenyl)-N-methoxyethenamine
CID 57065375
N-[(4-chlorophenyl)methyl]-2-hydroxy-N-(2-hydroxyethyl)ethanamine oxide
CID 134926726
2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine
CID 3046188
1-(4-chloro-3-fluorophenyl)-N-ethoxymethanamine
CID 82710193
1-(4-chloro-2-fluorophenyl)-N-ethoxymethanamine
CID 114842561
1-(4-chlorophenyl)-N-ethenoxymethanamine
CID 23559792
N-[(4-chlorophenyl)methyl]-2-methoxy-N-methylethanamine
CID 47014890
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
2-(Dimethylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 56978020

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(dimethylamino)ethoxy]ethenamine?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(dimethylamino)ethoxy]ethenamine (CID 57017294) is 1-(4-chlorophenyl)-N-[2-(dimethylamino)ethoxy]ethenamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(dimethylamino)ethoxy]ethenamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(dimethylamino)ethoxy]ethenamine is C=C(NOCCN(C)C)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(dimethylamino)ethoxy]ethenamine?
The InChIKey is LTWMTDKVCIVYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-10(14-16-9-8-15(2)3)11-4-6-12(13)7-5-11/h4-7,14H,1,8-9H2,2-3H3.
What are the key properties of 1-(4-chlorophenyl)-N-[2-(dimethylamino)ethoxy]ethenamine?
1-(4-chlorophenyl)-N-[2-(dimethylamino)ethoxy]ethenamine has a molecular weight of 240.73 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(dimethylamino)ethoxy]ethenamine is sourced from PubChem (CID 57017294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).