(1S)-2-[(2S)-2-[[ethyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]-1-phenylethanol

C19H26N4O2 — CID 100870344

IUPAC(1S)-2-[(2S)-2-[[ethyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]-1-phenylethanol
SMILESCCN(C[C@@H]1CN(C[C@@H](O)c2ccccc2)CCO1)c1cccnn1
InChIInChI=1S/C19H26N4O2/c1-2-23(19-9-6-10-20-21-19)14-17-13-22(11-12-25-17)15-18(24)16-7-4-3-5-8-16/h3-10,17-18,24H,2,11-15H2,1H3/t17-,18+/m0/s1
InChIKeyZQUXLRCPGXDVJH-ZWKOTPCHSA-N
MW342.44 g/mol
LogP1.74
Rot. Bonds7

About (1S)-2-[(2S)-2-[[ethyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]-1-phenylethanol

(1S)-2-[(2S)-2-[[ethyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]-1-phenylethanol (PubChem CID 100870344) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (1S)-2-[(2S)-2-[[ethyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-[(2S)-2-[[ethyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]-1-phenylethanol
PubChem CID100870344
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(1S)-2-[(2S)-2-[[ethyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]-1-phenylethanol
SMILESCCN(C[C@@H]1CN(C[C@@H](O)c2ccccc2)CCO1)c1cccnn1
InChIInChI=1S/C19H26N4O2/c1-2-23(19-9-6-10-20-21-19)14-17-13-22(11-12-25-17)15-18(24)16-7-4-3-5-8-16/h3-10,17-18,24H,2,11-15H2,1H3/t17-,18+/m0/s1
InChIKeyZQUXLRCPGXDVJH-ZWKOTPCHSA-N
XLogP1.74
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S)-2-[(2S)-2-[[ethyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]-1-phenylethanol with MolForge

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Related Compounds

N-[[4-(cyclobutylmethyl)morpholin-2-yl]methyl]-N-ethylpyridazin-3-amine
CID 71928433
N-ethyl-N-[[4-(1,2-oxazol-5-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine
CID 71928436
N-ethyl-N-[[4-(1H-imidazol-2-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine
CID 71872607
N-[[4-[(1-cyclopropyltetrazol-5-yl)methyl]morpholin-2-yl]methyl]-N-ethylpyridazin-3-amine
CID 71872591
N-ethyl-N-[[(2R)-4-[(1R)-1-pyridin-3-ylethyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 98787330
N-ethyl-N-[[4-(2-thiophen-2-ylethyl)morpholin-2-yl]methyl]pyridazin-3-amine
CID 71928437
N-ethyl-N-[[(2R)-4-[(5-methylpyrazin-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 97028605
N-[[(2R)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]methyl]-N-ethylpyridazin-3-amine
CID 97028617
(1S)-1-phenyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol
CID 100841885
(1S)-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-phenylethanol
CID 100841984
2-[2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]acetamide
CID 71872661
N-(cyclopropylmethyl)-N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-4-methylbenzamide
CID 42862392

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(2S)-2-[[ethyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]-1-phenylethanol?
The IUPAC name of (1S)-2-[(2S)-2-[[ethyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]-1-phenylethanol (CID 100870344) is (1S)-2-[(2S)-2-[[ethyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]-1-phenylethanol.
What is the SMILES notation for (1S)-2-[(2S)-2-[[ethyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]-1-phenylethanol?
The canonical SMILES for (1S)-2-[(2S)-2-[[ethyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]-1-phenylethanol is CCN(C[C@@H]1CN(C[C@@H](O)c2ccccc2)CCO1)c1cccnn1.
What is the InChIKey of (1S)-2-[(2S)-2-[[ethyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]-1-phenylethanol?
The InChIKey is ZQUXLRCPGXDVJH-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-2-23(19-9-6-10-20-21-19)14-17-13-22(11-12-25-17)15-18(24)16-7-4-3-5-8-16/h3-10,17-18,24H,2,11-15H2,1H3/t17-,18+/m0/s1.
What are the key properties of (1S)-2-[(2S)-2-[[ethyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]-1-phenylethanol?
(1S)-2-[(2S)-2-[[ethyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]-1-phenylethanol has a molecular weight of 342.44 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[(2S)-2-[[ethyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]-1-phenylethanol is sourced from PubChem (CID 100870344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).