(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(3-methoxyphenyl)methanimine

C14H20N2O2 — CID 134890406

IUPAC(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(3-methoxyphenyl)methanimine
SMILESCOC[C@@H]1CCCN1/N=C\c1cccc(OC)c1
InChIInChI=1S/C14H20N2O2/c1-17-11-13-6-4-8-16(13)15-10-12-5-3-7-14(9-12)18-2/h3,5,7,9-10,13H,4,6,8,11H2,1-2H3/b15-10-/t13-/m0/s1
InChIKeyYOVCLAARRBTRBV-OJNRTJSBSA-N
MW248.33 g/mol
LogP2.14
Rot. Bonds5

About (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(3-methoxyphenyl)methanimine

(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(3-methoxyphenyl)methanimine (PubChem CID 134890406) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(3-methoxyphenyl)methanimine.

Molecular Properties

Compound Name(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(3-methoxyphenyl)methanimine
PubChem CID134890406
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(3-methoxyphenyl)methanimine
SMILESCOC[C@@H]1CCCN1/N=C\c1cccc(OC)c1
InChIInChI=1S/C14H20N2O2/c1-17-11-13-6-4-8-16(13)15-10-12-5-3-7-14(9-12)18-2/h3,5,7,9-10,13H,4,6,8,11H2,1-2H3/b15-10-/t13-/m0/s1
InChIKeyYOVCLAARRBTRBV-OJNRTJSBSA-N
XLogP2.14
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(2-methoxyphenyl)-N-(1-propan-2-ylpyrrolidin-3-yl)oxymethanimine
CID 71653433
(E)-1-(4-methoxyphenyl)-N-pyrrolidin-1-ylmethanimine
CID 12267663
(1Z)-1-[(3-methoxyphenyl)methylidene]-5,5-dimethyl-4H-pyrazol-1-ium-3-olate
CID 135083860
(E)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]methanimine
CID 110173535
(E)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[2-(methoxymethyl)pyrrolidin-1-yl]methanimine
CID 110173541
trans-(1R,2R)-2-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]cyclohexan-1-ol
CID 10038357
(E)-1-(3,4-dimethoxyphenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine
CID 11536434
1-(4-methoxyphenyl)-N-morpholin-4-ylmethanimine
CID 869581
4,4-dimethyl-2-[3-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-5H-1,3-oxazole
CID 11951970
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)-2-methylpropan-1-imine
CID 124141453
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-imine
CID 124141601
N-[2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-imine
CID 135149433

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(3-methoxyphenyl)methanimine?
The IUPAC name of (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(3-methoxyphenyl)methanimine (CID 134890406) is (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(3-methoxyphenyl)methanimine.
What is the SMILES notation for (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(3-methoxyphenyl)methanimine?
The canonical SMILES for (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(3-methoxyphenyl)methanimine is COC[C@@H]1CCCN1/N=C\c1cccc(OC)c1.
What is the InChIKey of (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(3-methoxyphenyl)methanimine?
The InChIKey is YOVCLAARRBTRBV-OJNRTJSBSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-17-11-13-6-4-8-16(13)15-10-12-5-3-7-14(9-12)18-2/h3,5,7,9-10,13H,4,6,8,11H2,1-2H3/b15-10-/t13-/m0/s1.
What are the key properties of (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(3-methoxyphenyl)methanimine?
(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(3-methoxyphenyl)methanimine has a molecular weight of 248.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(3-methoxyphenyl)methanimine is sourced from PubChem (CID 134890406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).