(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-1-imine

C16H24N2O2 — CID 11403144

IUPAC(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-1-imine
SMILESCOC[C@@H]1CCCN1/N=C/CCOCc1ccccc1
InChIInChI=1S/C16H24N2O2/c1-19-14-16-9-5-11-18(16)17-10-6-12-20-13-15-7-3-2-4-8-15/h2-4,7-8,10,16H,5-6,9,11-14H2,1H3/b17-10+/t16-/m0/s1
InChIKeyLRBRFRBDXKNIJY-KFXAOSDLSA-N
MW276.38 g/mol
LogP2.69
Rot. Bonds8

About (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-1-imine

(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-1-imine (PubChem CID 11403144) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-1-imine.

Molecular Properties

Compound Name(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-1-imine
PubChem CID11403144
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-1-imine
SMILESCOC[C@@H]1CCCN1/N=C/CCOCc1ccccc1
InChIInChI=1S/C16H24N2O2/c1-19-14-16-9-5-11-18(16)17-10-6-12-20-13-15-7-3-2-4-8-15/h2-4,7-8,10,16H,5-6,9,11-14H2,1H3/b17-10+/t16-/m0/s1
InChIKeyLRBRFRBDXKNIJY-KFXAOSDLSA-N
XLogP2.69
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Pyrrolidine, 1-nitroso-2-[(phenylmethoxy)methyl]-, (2S)-
CID 10421017
Ctk0J6719
CID 10661477
(E)-2-[(E)-but-2-enoxy]-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-1-phenylethanimine
CID 134880515
(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-amine
CID 11009092
(E)-3,3,3-trifluoro-2-methyl-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine
CID 10732971
(2S,4S)-4-fluoro-1-methyl-2-[[(Z)-4-phenylmethoxybut-2-enoxy]methyl]pyrrolidine
CID 58778459
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine
CID 10857334
(E)-2-[(E)-hex-2-enoxy]-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-1-phenylethanimine
CID 11047331
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine
CID 11402354
(E,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-imine
CID 13329770
(E,2S)-2-benzyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-imine
CID 14641138
(Z,4R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-imine
CID 16202285

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-1-imine?
The IUPAC name of (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-1-imine (CID 11403144) is (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-1-imine.
What is the SMILES notation for (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-1-imine?
The canonical SMILES for (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-1-imine is COC[C@@H]1CCCN1/N=C/CCOCc1ccccc1.
What is the InChIKey of (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-1-imine?
The InChIKey is LRBRFRBDXKNIJY-KFXAOSDLSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-19-14-16-9-5-11-18(16)17-10-6-12-20-13-15-7-3-2-4-8-15/h2-4,7-8,10,16H,5-6,9,11-14H2,1H3/b17-10+/t16-/m0/s1.
What are the key properties of (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-1-imine?
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-1-imine has a molecular weight of 276.38 g/mol, XLogP of 2.69, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-1-imine is sourced from PubChem (CID 11403144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).