(2R)-1-(3-methylphenoxy)-3-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol

C19H26N4O2 — CID 95751089

IUPAC(2R)-1-(3-methylphenoxy)-3-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol
SMILESCc1cccc(OC[C@H](O)CNC[C@@H]2CCCN2c2cccnn2)c1
InChIInChI=1S/C19H26N4O2/c1-15-5-2-7-18(11-15)25-14-17(24)13-20-12-16-6-4-10-23(16)19-8-3-9-21-22-19/h2-3,5,7-9,11,16-17,20,24H,4,6,10,12-14H2,1H3/t16-,17+/m0/s1
InChIKeyHZMAAAFDSQCEJM-DLBZAZTESA-N
MW342.44 g/mol
LogP1.78
Rot. Bonds8

About (2R)-1-(3-methylphenoxy)-3-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol

(2R)-1-(3-methylphenoxy)-3-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol (PubChem CID 95751089) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2R)-1-(3-methylphenoxy)-3-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3-methylphenoxy)-3-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol
PubChem CID95751089
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(2R)-1-(3-methylphenoxy)-3-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol
SMILESCc1cccc(OC[C@H](O)CNC[C@@H]2CCCN2c2cccnn2)c1
InChIInChI=1S/C19H26N4O2/c1-15-5-2-7-18(11-15)25-14-17(24)13-20-12-16-6-4-10-23(16)19-8-3-9-21-22-19/h2-3,5,7-9,11,16-17,20,24H,4,6,10,12-14H2,1H3/t16-,17+/m0/s1
InChIKeyHZMAAAFDSQCEJM-DLBZAZTESA-N
XLogP1.78
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-1-(3-methylphenoxy)-3-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol with MolForge

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Related Compounds

(2R)-2-(3-methylphenoxy)-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide
CID 96504011
(1R)-1-(3,4-dimethylphenyl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]ethanol
CID 95764540
1-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-3-phenoxypropan-2-ol
CID 56778258
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846
(1-pyridazin-3-ylpyrrolidin-2-yl)methanol
CID 62482647
1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-phenoxypropan-2-ol
CID 3379940
2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]acetamide
CID 60902288
(2R)-2-phenyl-1-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol
CID 95600206
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 95764526
2-methylsulfonyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine
CID 95610324
N-[(1S)-1-phenylethyl]-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
CID 95600131
1-(3-methylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol
CID 83021165

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-methylphenoxy)-3-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol?
The IUPAC name of (2R)-1-(3-methylphenoxy)-3-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol (CID 95751089) is (2R)-1-(3-methylphenoxy)-3-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-(3-methylphenoxy)-3-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol?
The canonical SMILES for (2R)-1-(3-methylphenoxy)-3-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol is Cc1cccc(OC[C@H](O)CNC[C@@H]2CCCN2c2cccnn2)c1.
What is the InChIKey of (2R)-1-(3-methylphenoxy)-3-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol?
The InChIKey is HZMAAAFDSQCEJM-DLBZAZTESA-N. The full InChI is InChI=1S/C19H26N4O2/c1-15-5-2-7-18(11-15)25-14-17(24)13-20-12-16-6-4-10-23(16)19-8-3-9-21-22-19/h2-3,5,7-9,11,16-17,20,24H,4,6,10,12-14H2,1H3/t16-,17+/m0/s1.
What are the key properties of (2R)-1-(3-methylphenoxy)-3-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol?
(2R)-1-(3-methylphenoxy)-3-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol has a molecular weight of 342.44 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-methylphenoxy)-3-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol is sourced from PubChem (CID 95751089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).