(4R)-1-methyl-4-phenylpyrrolidin-3-imine

C11H14N2 — CID 163427854

IUPAC(4R)-1-methyl-4-phenylpyrrolidin-3-imine
SMILES[H]/N=C1\CN(C)C[C@H]1c1ccccc1
InChIInChI=1S/C11H14N2/c1-13-7-10(11(12)8-13)9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3/b12-11+/t10-/m0/s1
InChIKeyAOBFJABJXSIEPG-IUZMTQGWSA-N
MW174.25 g/mol
LogP1.74
Rot. Bonds1

About (4R)-1-methyl-4-phenylpyrrolidin-3-imine

(4R)-1-methyl-4-phenylpyrrolidin-3-imine (PubChem CID 163427854) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is (4R)-1-methyl-4-phenylpyrrolidin-3-imine.

Molecular Properties

Compound Name(4R)-1-methyl-4-phenylpyrrolidin-3-imine
PubChem CID163427854
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name(4R)-1-methyl-4-phenylpyrrolidin-3-imine
SMILES[H]/N=C1\CN(C)C[C@H]1c1ccccc1
InChIInChI=1S/C11H14N2/c1-13-7-10(11(12)8-13)9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3/b12-11+/t10-/m0/s1
InChIKeyAOBFJABJXSIEPG-IUZMTQGWSA-N
XLogP1.74
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-ol
CID 71497499
N,2-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine
CID 10037871
2,5-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline
CID 71450608
bis(4-imino-1-methyl-N-phenylpiperidine-3-carboxamide);trihydrochloride
CID 163331700
6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 172804184
6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline;ethane
CID 142248458
2-methyl-8-nitro-4-phenyl-3,4-dihydro-1H-isoquinoline
CID 14571110
3-methyl-5-phenyl-1,3-oxazolidin-2-imine
CID 3058501
(6-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)methanol
CID 13210741
(Z)-but-2-enedioic acid;1,6-dimethyl-4-phenyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine
CID 70547046
buta-1,3-diene;6,7-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
CID 171526432
buta-1,3-diene;5,6-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
CID 155698291

Frequently Asked Questions

What is the IUPAC name of (4R)-1-methyl-4-phenylpyrrolidin-3-imine?
The IUPAC name of (4R)-1-methyl-4-phenylpyrrolidin-3-imine (CID 163427854) is (4R)-1-methyl-4-phenylpyrrolidin-3-imine.
What is the SMILES notation for (4R)-1-methyl-4-phenylpyrrolidin-3-imine?
The canonical SMILES for (4R)-1-methyl-4-phenylpyrrolidin-3-imine is [H]/N=C1\CN(C)C[C@H]1c1ccccc1.
What is the InChIKey of (4R)-1-methyl-4-phenylpyrrolidin-3-imine?
The InChIKey is AOBFJABJXSIEPG-IUZMTQGWSA-N. The full InChI is InChI=1S/C11H14N2/c1-13-7-10(11(12)8-13)9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3/b12-11+/t10-/m0/s1.
What are the key properties of (4R)-1-methyl-4-phenylpyrrolidin-3-imine?
(4R)-1-methyl-4-phenylpyrrolidin-3-imine has a molecular weight of 174.25 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-methyl-4-phenylpyrrolidin-3-imine is sourced from PubChem (CID 163427854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).