(1R)-1-(3,4-dimethylphenyl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]ethanol

C19H26N4O — CID 95764540

IUPAC(1R)-1-(3,4-dimethylphenyl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]ethanol
SMILESCc1ccc([C@@H](O)CNC[C@@H]2CCCN2c2cccnn2)cc1C
InChIInChI=1S/C19H26N4O/c1-14-7-8-16(11-15(14)2)18(24)13-20-12-17-5-4-10-23(17)19-6-3-9-21-22-19/h3,6-9,11,17-18,20,24H,4-5,10,12-13H2,1-2H3/t17-,18-/m0/s1
InChIKeyOICDCYGMKBGFEQ-ROUUACIJSA-N
MW326.44 g/mol
LogP2.39
Rot. Bonds6

About (1R)-1-(3,4-dimethylphenyl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]ethanol

(1R)-1-(3,4-dimethylphenyl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]ethanol (PubChem CID 95764540) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is (1R)-1-(3,4-dimethylphenyl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]ethanol.

Molecular Properties

Compound Name(1R)-1-(3,4-dimethylphenyl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]ethanol
PubChem CID95764540
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name(1R)-1-(3,4-dimethylphenyl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]ethanol
SMILESCc1ccc([C@@H](O)CNC[C@@H]2CCCN2c2cccnn2)cc1C
InChIInChI=1S/C19H26N4O/c1-14-7-8-16(11-15(14)2)18(24)13-20-12-17-5-4-10-23(17)19-6-3-9-21-22-19/h3,6-9,11,17-18,20,24H,4-5,10,12-13H2,1-2H3/t17-,18-/m0/s1
InChIKeyOICDCYGMKBGFEQ-ROUUACIJSA-N
XLogP2.39
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1R)-1-(3,4-dimethylphenyl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]ethanol with MolForge

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Related Compounds

(2R)-1-(3-methylphenoxy)-3-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol
CID 95751089
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
(2R)-2-phenyl-1-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol
CID 95600206
N-[(2-methylphenyl)methyl]-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
CID 95600155
(1-pyridazin-3-ylpyrrolidin-2-yl)methanol
CID 62482647
3-[2-(bromomethyl)pyrrolidin-1-yl]pyridazine
CID 80668055
2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 95764485
2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 95764484
2-[3,5-dimethyl-4-[[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]methyl]pyrazol-1-yl]ethanol
CID 97199193
N-[(4-methylsulfonylphenyl)methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 95610651
(2R)-2-(3-methylphenoxy)-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide
CID 96504011

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,4-dimethylphenyl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]ethanol?
The IUPAC name of (1R)-1-(3,4-dimethylphenyl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]ethanol (CID 95764540) is (1R)-1-(3,4-dimethylphenyl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]ethanol.
What is the SMILES notation for (1R)-1-(3,4-dimethylphenyl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]ethanol?
The canonical SMILES for (1R)-1-(3,4-dimethylphenyl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]ethanol is Cc1ccc([C@@H](O)CNC[C@@H]2CCCN2c2cccnn2)cc1C.
What is the InChIKey of (1R)-1-(3,4-dimethylphenyl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]ethanol?
The InChIKey is OICDCYGMKBGFEQ-ROUUACIJSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14-7-8-16(11-15(14)2)18(24)13-20-12-17-5-4-10-23(17)19-6-3-9-21-22-19/h3,6-9,11,17-18,20,24H,4-5,10,12-13H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of (1R)-1-(3,4-dimethylphenyl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]ethanol?
(1R)-1-(3,4-dimethylphenyl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]ethanol has a molecular weight of 326.44 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,4-dimethylphenyl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]ethanol is sourced from PubChem (CID 95764540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).