(E)-2-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine

C14H19ClN2O — CID 11715939

IUPAC(E)-2-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine
SMILESCOC[C@@H]1CCCN1/N=C/Cc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O/c1-18-11-14-3-2-10-17(14)16-9-8-12-4-6-13(15)7-5-12/h4-7,9,14H,2-3,8,10-11H2,1H3/b16-9+/t14-/m0/s1
InChIKeyAENTXGYIKZWXOG-FSEGOYHTSA-N
MW266.77 g/mol
LogP2.98
Rot. Bonds5

About (E)-2-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine

(E)-2-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine (PubChem CID 11715939) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is (E)-2-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine.

Molecular Properties

Compound Name(E)-2-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine
PubChem CID11715939
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name(E)-2-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine
SMILESCOC[C@@H]1CCCN1/N=C/Cc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O/c1-18-11-14-3-2-10-17(14)16-9-8-12-4-6-13(15)7-5-12/h4-7,9,14H,2-3,8,10-11H2,1H3/b16-9+/t14-/m0/s1
InChIKeyAENTXGYIKZWXOG-FSEGOYHTSA-N
XLogP2.98
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine?
The IUPAC name of (E)-2-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine (CID 11715939) is (E)-2-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine.
What is the SMILES notation for (E)-2-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine?
The canonical SMILES for (E)-2-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine is COC[C@@H]1CCCN1/N=C/Cc1ccc(Cl)cc1.
What is the InChIKey of (E)-2-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine?
The InChIKey is AENTXGYIKZWXOG-FSEGOYHTSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-18-11-14-3-2-10-17(14)16-9-8-12-4-6-13(15)7-5-12/h4-7,9,14H,2-3,8,10-11H2,1H3/b16-9+/t14-/m0/s1.
What are the key properties of (E)-2-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine?
(E)-2-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine has a molecular weight of 266.77 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine is sourced from PubChem (CID 11715939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).