1-methyl-N-(2-morpholin-4-ylphenyl)pyrrolidin-2-imine

C15H21N3O — CID 15746242

IUPAC1-methyl-N-(2-morpholin-4-ylphenyl)pyrrolidin-2-imine
SMILESCN1CCC/C1=N/c1ccccc1N1CCOCC1
InChIInChI=1S/C15H21N3O/c1-17-8-4-7-15(17)16-13-5-2-3-6-14(13)18-9-11-19-12-10-18/h2-3,5-6H,4,7-12H2,1H3/b16-15-
InChIKeyROKMPTLBWWIORC-NXVVXOECSA-N
MW259.35 g/mol
LogP2.28
Rot. Bonds2

About 1-methyl-N-(2-morpholin-4-ylphenyl)pyrrolidin-2-imine

1-methyl-N-(2-morpholin-4-ylphenyl)pyrrolidin-2-imine (PubChem CID 15746242) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-methyl-N-(2-morpholin-4-ylphenyl)pyrrolidin-2-imine.

Molecular Properties

Compound Name1-methyl-N-(2-morpholin-4-ylphenyl)pyrrolidin-2-imine
PubChem CID15746242
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-methyl-N-(2-morpholin-4-ylphenyl)pyrrolidin-2-imine
SMILESCN1CCC/C1=N/c1ccccc1N1CCOCC1
InChIInChI=1S/C15H21N3O/c1-17-8-4-7-15(17)16-13-5-2-3-6-14(13)18-9-11-19-12-10-18/h2-3,5-6H,4,7-12H2,1H3/b16-15-
InChIKeyROKMPTLBWWIORC-NXVVXOECSA-N
XLogP2.28
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.28
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

3-(2-methoxyethyl)-1-methyl-N-(2-morpholin-4-ylphenyl)piperidin-2-imine
CID 15746235
1,3-dimethyl-N-(2-pyrrolidin-1-ylphenyl)piperidin-2-imine
CID 139692559
N'-(2-piperidin-1-ylphenyl)morpholine-4-carboximidamide
CID 15746476
N-(2-morpholin-4-ylphenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine
CID 2356378
4-[2-(2,2-dimethylpropyl)phenyl]morpholine
CID 58063137
ethoxy-(2-morpholin-4-ylphenyl)methanol
CID 91211184
10-(2-iodophenyl)-1,4,7-trioxa-10-azacyclododecane
CID 101167141
2-methyl-6-[(2-morpholin-4-ylphenyl)iminomethyl]phenol
CID 135810605
N,N-dimethyl-2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)aniline
CID 101213947
16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 86134682
4-[2-(2-methylphenyl)phenyl]morpholine
CID 173334171
(E)-but-2-enedioic acid;N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide
CID 66630041

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-morpholin-4-ylphenyl)pyrrolidin-2-imine?
The IUPAC name of 1-methyl-N-(2-morpholin-4-ylphenyl)pyrrolidin-2-imine (CID 15746242) is 1-methyl-N-(2-morpholin-4-ylphenyl)pyrrolidin-2-imine.
What is the SMILES notation for 1-methyl-N-(2-morpholin-4-ylphenyl)pyrrolidin-2-imine?
The canonical SMILES for 1-methyl-N-(2-morpholin-4-ylphenyl)pyrrolidin-2-imine is CN1CCC/C1=N/c1ccccc1N1CCOCC1.
What is the InChIKey of 1-methyl-N-(2-morpholin-4-ylphenyl)pyrrolidin-2-imine?
The InChIKey is ROKMPTLBWWIORC-NXVVXOECSA-N. The full InChI is InChI=1S/C15H21N3O/c1-17-8-4-7-15(17)16-13-5-2-3-6-14(13)18-9-11-19-12-10-18/h2-3,5-6H,4,7-12H2,1H3/b16-15-.
What are the key properties of 1-methyl-N-(2-morpholin-4-ylphenyl)pyrrolidin-2-imine?
1-methyl-N-(2-morpholin-4-ylphenyl)pyrrolidin-2-imine has a molecular weight of 259.35 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-morpholin-4-ylphenyl)pyrrolidin-2-imine is sourced from PubChem (CID 15746242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).