(2S)-1-(2-methoxyphenyl)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propan-2-amine

C21H29N3O — CID 129332905

IUPAC(2S)-1-(2-methoxyphenyl)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propan-2-amine
SMILESCOc1ccccc1C[C@H](C)NC[C@@H]1CCN(C)[C@H]1c1cccnc1
InChIInChI=1S/C21H29N3O/c1-16(13-17-7-4-5-9-20(17)25-3)23-15-19-10-12-24(2)21(19)18-8-6-11-22-14-18/h4-9,11,14,16,19,21,23H,10,12-13,15H2,1-3H3/t16-,19-,21-/m0/s1
InChIKeyDXGNDGVSFPROKG-LRQRDZAKSA-N
MW339.48 g/mol
LogP3.30
Rot. Bonds7

About (2S)-1-(2-methoxyphenyl)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propan-2-amine

(2S)-1-(2-methoxyphenyl)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propan-2-amine (PubChem CID 129332905) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is (2S)-1-(2-methoxyphenyl)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(2-methoxyphenyl)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propan-2-amine
PubChem CID129332905
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name(2S)-1-(2-methoxyphenyl)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propan-2-amine
SMILESCOc1ccccc1C[C@H](C)NC[C@@H]1CCN(C)[C@H]1c1cccnc1
InChIInChI=1S/C21H29N3O/c1-16(13-17-7-4-5-9-20(17)25-3)23-15-19-10-12-24(2)21(19)18-8-6-11-22-14-18/h4-9,11,14,16,19,21,23H,10,12-13,15H2,1-3H3/t16-,19-,21-/m0/s1
InChIKeyDXGNDGVSFPROKG-LRQRDZAKSA-N
XLogP3.30
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
CID 128967213
(2S)-6-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]hept-5-en-2-amine
CID 129330781
3-[3-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine
CID 10330622
1-cyclohexyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]methanamine
CID 128997853
2-(cyclopropylmethoxy)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propanamide
CID 128970530
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
CID 128968849
1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]methanamine
CID 129000980
2-(4-fluorophenyl)-2-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]acetamide
CID 128993715
[(2S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanol
CID 13292843
1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-(methylsulfamoyl)methanamine
CID 167757288
1-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-[(2R)-2-methylsulfanylpropyl]urea
CID 129335009
N-[(2-methylpyrazol-3-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
CID 128997727

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methoxyphenyl)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propan-2-amine?
The IUPAC name of (2S)-1-(2-methoxyphenyl)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propan-2-amine (CID 129332905) is (2S)-1-(2-methoxyphenyl)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for (2S)-1-(2-methoxyphenyl)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for (2S)-1-(2-methoxyphenyl)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propan-2-amine is COc1ccccc1C[C@H](C)NC[C@@H]1CCN(C)[C@H]1c1cccnc1.
What is the InChIKey of (2S)-1-(2-methoxyphenyl)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propan-2-amine?
The InChIKey is DXGNDGVSFPROKG-LRQRDZAKSA-N. The full InChI is InChI=1S/C21H29N3O/c1-16(13-17-7-4-5-9-20(17)25-3)23-15-19-10-12-24(2)21(19)18-8-6-11-22-14-18/h4-9,11,14,16,19,21,23H,10,12-13,15H2,1-3H3/t16-,19-,21-/m0/s1.
What are the key properties of (2S)-1-(2-methoxyphenyl)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propan-2-amine?
(2S)-1-(2-methoxyphenyl)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propan-2-amine has a molecular weight of 339.48 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methoxyphenyl)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 129332905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).