1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)ethenamine

C14H19ClN2O — CID 57002362

IUPAC1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)ethenamine
SMILESC=C(NOCCN1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O/c1-12(13-4-6-14(15)7-5-13)16-18-11-10-17-8-2-3-9-17/h4-7,16H,1-3,8-11H2
InChIKeyVGCMRNGKMKTUJF-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.93
Rot. Bonds6

About 1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)ethenamine

1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)ethenamine (PubChem CID 57002362) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)ethenamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)ethenamine
PubChem CID57002362
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)ethenamine
SMILESC=C(NOCCN1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O/c1-12(13-4-6-14(15)7-5-13)16-18-11-10-17-8-2-3-9-17/h4-7,16H,1-3,8-11H2
InChIKeyVGCMRNGKMKTUJF-UHFFFAOYSA-N
XLogP2.93
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.93
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-[(4-chlorophenyl)methyl]-2-hydroxy-N-(2-hydroxyethyl)ethanamine oxide
CID 134926726
2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine
CID 3046188
3-[1-(4-Chlorophenyl)propyl]-1,3-oxazolidine
CID 3056410
3-[1-(4-Chlorophenyl)butyl]-1,3-oxazolidine
CID 3056414
1-(1-(4-Chlorophenyl)vinyl)pyrrolidine
CID 22719882
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
1-(4-chlorophenyl)-6-methyl-N-(3-pyrrolidin-1-ylpropoxy)hepta-1,3-dien-3-amine
CID 57018728
1-(4-chlorophenyl)-N-[2-(diethylamino)ethoxy]penta-1,3-dien-3-amine
CID 57037626

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)ethenamine?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)ethenamine (CID 57002362) is 1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)ethenamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)ethenamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)ethenamine is C=C(NOCCN1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)ethenamine?
The InChIKey is VGCMRNGKMKTUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-12(13-4-6-14(15)7-5-13)16-18-11-10-17-8-2-3-9-17/h4-7,16H,1-3,8-11H2.
What are the key properties of 1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)ethenamine?
1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)ethenamine has a molecular weight of 266.77 g/mol, XLogP of 2.93, 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-pyrrolidin-1-ylethoxy)ethenamine is sourced from PubChem (CID 57002362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).