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

C21H29N3O — CID 128969041

IUPACN-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-phenoxypropan-1-amine
SMILESCN(CCCOc1ccccc1)C[C@@H]1CCN(C)[C@H]1c1cccnc1
InChIInChI=1S/C21H29N3O/c1-23(13-7-15-25-20-9-4-3-5-10-20)17-19-11-14-24(2)21(19)18-8-6-12-22-16-18/h3-6,8-10,12,16,19,21H,7,11,13-15,17H2,1-2H3/t19-,21-/m0/s1
InChIKeyXYYSERUKXKLBLN-FPOVZHCZSA-N
MW339.48 g/mol
LogP3.48
Rot. Bonds8

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

N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-phenoxypropan-1-amine (PubChem CID 128969041) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-phenoxypropan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-phenoxypropan-1-amine
PubChem CID128969041
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC NameN-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-phenoxypropan-1-amine
SMILESCN(CCCOc1ccccc1)C[C@@H]1CCN(C)[C@H]1c1cccnc1
InChIInChI=1S/C21H29N3O/c1-23(13-7-15-25-20-9-4-3-5-10-20)17-19-11-14-24(2)21(19)18-8-6-12-22-16-18/h3-6,8-10,12,16,19,21H,7,11,13-15,17H2,1-2H3/t19-,21-/m0/s1
InChIKeyXYYSERUKXKLBLN-FPOVZHCZSA-N
XLogP3.48
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-N-methyl-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
CID 128993081
3-[3-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine
CID 10330622
[5-[[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]methyl]furan-2-yl]methanol
CID 129007294
[(2S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanol
CID 13292843
2-[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]-2-phenylacetamide
CID 128967466
N-[[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
CID 129336554
5-chloro-6-[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]pyridine-3-carbonitrile
CID 128993168
4-cyano-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]benzamide
CID 128997530
N-(furan-2-ylmethyl)-2-[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]acetamide
CID 128992768
N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 128997680
N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 129004766
2-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 128995545

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-phenoxypropan-1-amine?
The IUPAC name of N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-phenoxypropan-1-amine (CID 128969041) is N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-phenoxypropan-1-amine.
What is the SMILES notation for N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-phenoxypropan-1-amine?
The canonical SMILES for N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-phenoxypropan-1-amine is CN(CCCOc1ccccc1)C[C@@H]1CCN(C)[C@H]1c1cccnc1.
What is the InChIKey of N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-phenoxypropan-1-amine?
The InChIKey is XYYSERUKXKLBLN-FPOVZHCZSA-N. The full InChI is InChI=1S/C21H29N3O/c1-23(13-7-15-25-20-9-4-3-5-10-20)17-19-11-14-24(2)21(19)18-8-6-12-22-16-18/h3-6,8-10,12,16,19,21H,7,11,13-15,17H2,1-2H3/t19-,21-/m0/s1.
What are the key properties of N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-phenoxypropan-1-amine?
N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-phenoxypropan-1-amine has a molecular weight of 339.48 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-phenoxypropan-1-amine is sourced from PubChem (CID 128969041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).