(E)-2-(3-fluorophenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine

C14H19FN2O — CID 155666015

IUPAC(E)-2-(3-fluorophenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine
SMILESCOC[C@H]1CCCN1/N=C/Cc1cccc(F)c1
InChIInChI=1S/C14H19FN2O/c1-18-11-14-6-3-9-17(14)16-8-7-12-4-2-5-13(15)10-12/h2,4-5,8,10,14H,3,6-7,9,11H2,1H3/b16-8+/t14-/m1/s1
InChIKeyAHGYNIVWKDXELP-UVYNJXETSA-N
MW250.32 g/mol
LogP2.46
Rot. Bonds5

About (E)-2-(3-fluorophenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine

(E)-2-(3-fluorophenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine (PubChem CID 155666015) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is (E)-2-(3-fluorophenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine.

Molecular Properties

Compound Name(E)-2-(3-fluorophenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine
PubChem CID155666015
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name(E)-2-(3-fluorophenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine
SMILESCOC[C@H]1CCCN1/N=C/Cc1cccc(F)c1
InChIInChI=1S/C14H19FN2O/c1-18-11-14-6-3-9-17(14)16-8-7-12-4-2-5-13(15)10-12/h2,4-5,8,10,14H,3,6-7,9,11H2,1H3/b16-8+/t14-/m1/s1
InChIKeyAHGYNIVWKDXELP-UVYNJXETSA-N
XLogP2.46
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine
CID 11024637
(2E)-N,N-dibenzyl-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]iminoethanamine
CID 11078657
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine
CID 11402354
(E)-2-benzylsulfanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine
CID 14974113
(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylethanimine
CID 88927756
4-(4-Fluorophenyl)-2-(2-methoxyethyl)-5-propan-2-yl-3,4-dihydropyrazole
CID 142184104
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine
CID 10857334
(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylpropan-1-imine
CID 10868593
(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-imine
CID 11139427
(E)-2-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine
CID 11715939
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-imine
CID 11831731
(E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-diphenylbutan-2-imine
CID 13283581

Frequently Asked Questions

What is the IUPAC name of (E)-2-(3-fluorophenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine?
The IUPAC name of (E)-2-(3-fluorophenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine (CID 155666015) is (E)-2-(3-fluorophenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine.
What is the SMILES notation for (E)-2-(3-fluorophenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine?
The canonical SMILES for (E)-2-(3-fluorophenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine is COC[C@H]1CCCN1/N=C/Cc1cccc(F)c1.
What is the InChIKey of (E)-2-(3-fluorophenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine?
The InChIKey is AHGYNIVWKDXELP-UVYNJXETSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-18-11-14-6-3-9-17(14)16-8-7-12-4-2-5-13(15)10-12/h2,4-5,8,10,14H,3,6-7,9,11H2,1H3/b16-8+/t14-/m1/s1.
What are the key properties of (E)-2-(3-fluorophenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine?
(E)-2-(3-fluorophenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine has a molecular weight of 250.32 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(3-fluorophenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine is sourced from PubChem (CID 155666015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).