1-benzyl-3-methoxy-2-methylpyrrolidin-3-amine

C13H20N2O — CID 19382194

IUPAC1-benzyl-3-methoxy-2-methylpyrrolidin-3-amine
SMILESCOC1(N)CCN(Cc2ccccc2)C1C
InChIInChI=1S/C13H20N2O/c1-11-13(14,16-2)8-9-15(11)10-12-6-4-3-5-7-12/h3-7,11H,8-10,14H2,1-2H3
InChIKeyMFTAYDRWCNOKSJ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.58
Rot. Bonds3

About 1-benzyl-3-methoxy-2-methylpyrrolidin-3-amine

1-benzyl-3-methoxy-2-methylpyrrolidin-3-amine (PubChem CID 19382194) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-benzyl-3-methoxy-2-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-3-methoxy-2-methylpyrrolidin-3-amine
PubChem CID19382194
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-benzyl-3-methoxy-2-methylpyrrolidin-3-amine
SMILESCOC1(N)CCN(Cc2ccccc2)C1C
InChIInChI=1S/C13H20N2O/c1-11-13(14,16-2)8-9-15(11)10-12-6-4-3-5-7-12/h3-7,11H,8-10,14H2,1-2H3
InChIKeyMFTAYDRWCNOKSJ-UHFFFAOYSA-N
XLogP1.58
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-tert-butyl-2-methylpyrrolidin-3-ol
CID 130546283
2-benzyl-1-methyl-2,7-diazaspiro[4.4]nonane
CID 83850406
1-benzyl-2-methyl-3-(phenylmethoxycarbonylamino)pyrrolidine-3-carboxylic acid
CID 130546064
1-benzyl-4-methoxy-4-phenylpiperidine
CID 170986894
1-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methylcyclopropane-1-carboxamide
CID 119883030
1-benzyl-2-methyl-3-(5-methylthiophen-3-yl)pyrrolidin-3-ol
CID 130546235
(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465
(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
CID 15316822
1-benzyl-3a-fluoro-5-methyl-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-c]pyrrole
CID 19100960
(2S,3S)-1-benzyl-2,3-dimethylazetidin-3-ol
CID 10774084
1-benzyl-2-methyl-3-(1-methylimidazol-4-yl)pyrrolidin-3-ol
CID 130546252
4,11-dibenzyl-1,5,8,12-tetramethyl-1,4,8,11-tetrazacyclotetradecane
CID 101436229

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methoxy-2-methylpyrrolidin-3-amine?
The IUPAC name of 1-benzyl-3-methoxy-2-methylpyrrolidin-3-amine (CID 19382194) is 1-benzyl-3-methoxy-2-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-3-methoxy-2-methylpyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-3-methoxy-2-methylpyrrolidin-3-amine is COC1(N)CCN(Cc2ccccc2)C1C.
What is the InChIKey of 1-benzyl-3-methoxy-2-methylpyrrolidin-3-amine?
The InChIKey is MFTAYDRWCNOKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11-13(14,16-2)8-9-15(11)10-12-6-4-3-5-7-12/h3-7,11H,8-10,14H2,1-2H3.
What are the key properties of 1-benzyl-3-methoxy-2-methylpyrrolidin-3-amine?
1-benzyl-3-methoxy-2-methylpyrrolidin-3-amine has a molecular weight of 220.32 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methoxy-2-methylpyrrolidin-3-amine is sourced from PubChem (CID 19382194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).