[(2S,3R)-2-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine

C13H20N2O — CID 91647555

IUPAC[(2S,3R)-2-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCOc1ccc([C@@H]2[C@@H](CN)CCN2C)cc1
InChIInChI=1S/C13H20N2O/c1-15-8-7-11(9-14)13(15)10-3-5-12(16-2)6-4-10/h3-6,11,13H,7-9,14H2,1-2H3/t11-,13-/m1/s1
InChIKeyLDYZMXLDCPUKFZ-DGCLKSJQSA-N
MW220.32 g/mol
LogP1.65
Rot. Bonds3

About [(2S,3R)-2-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine

[(2S,3R)-2-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 91647555) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is [(2S,3R)-2-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(2S,3R)-2-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID91647555
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name[(2S,3R)-2-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCOc1ccc([C@@H]2[C@@H](CN)CCN2C)cc1
InChIInChI=1S/C13H20N2O/c1-15-8-7-11(9-14)13(15)10-3-5-12(16-2)6-4-10/h3-6,11,13H,7-9,14H2,1-2H3/t11-,13-/m1/s1
InChIKeyLDYZMXLDCPUKFZ-DGCLKSJQSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,3S)-1-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanamine
CID 95240602
1-butyl-3-[[2-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methyl]urea
CID 75371863
[(2S,3R)-1-methyl-2-(4-methylphenyl)piperidin-3-yl]methanamine
CID 82393146
[(2R,3S)-2-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methyl 4-ethoxybutanoate
CID 124739109
[2-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methyl 1,5-dimethylpyrazole-3-carboxylate
CID 56793106
[(2R,3R)-2-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methyl 1,5-dimethylpyrazole-3-carboxylate
CID 98764295
[(2R,3S)-2-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methyl 1,5-dimethylpyrazole-4-carboxylate
CID 98762442
(7S,8aR)-N-[[(2S,3S)-2-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 124856842
[(2S,3R)-1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methanamine
CID 98208232
1-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-(2-methylpropyl)guanidine
CID 111814516
2-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-1,1,3,3-tetramethylguanidine
CID 111814540
1-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111814515

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [(2S,3R)-2-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine (CID 91647555) is [(2S,3R)-2-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(2S,3R)-2-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [(2S,3R)-2-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine is COc1ccc([C@@H]2[C@@H](CN)CCN2C)cc1.
What is the InChIKey of [(2S,3R)-2-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is LDYZMXLDCPUKFZ-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H20N2O/c1-15-8-7-11(9-14)13(15)10-3-5-12(16-2)6-4-10/h3-6,11,13H,7-9,14H2,1-2H3/t11-,13-/m1/s1.
What are the key properties of [(2S,3R)-2-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
[(2S,3R)-2-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 220.32 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 91647555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).