N-[[(2S)-4-[(2-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine

C17H21FN4O — CID 96998292

IUPACN-[[(2S)-4-[(2-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine
SMILESCN(C[C@@H]1CN(Cc2ccccc2F)CCO1)c1cccnn1
InChIInChI=1S/C17H21FN4O/c1-21(17-7-4-8-19-20-17)12-15-13-22(9-10-23-15)11-14-5-2-3-6-16(14)18/h2-8,15H,9-13H2,1H3/t15-/m1/s1
InChIKeyNNMWBLORYPDAGM-OAHLLOKOSA-N
MW316.38 g/mol
LogP1.95
Rot. Bonds5

About N-[[(2S)-4-[(2-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine

N-[[(2S)-4-[(2-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine (PubChem CID 96998292) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[[(2S)-4-[(2-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-[[(2S)-4-[(2-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine
PubChem CID96998292
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC NameN-[[(2S)-4-[(2-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine
SMILESCN(C[C@@H]1CN(Cc2ccccc2F)CCO1)c1cccnn1
InChIInChI=1S/C17H21FN4O/c1-21(17-7-4-8-19-20-17)12-15-13-22(9-10-23-15)11-14-5-2-3-6-16(14)18/h2-8,15H,9-13H2,1H3/t15-/m1/s1
InChIKeyNNMWBLORYPDAGM-OAHLLOKOSA-N
XLogP1.95
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[[(2R)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 97004851
2-[2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]acetamide
CID 71872661
N-[[4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine
CID 71872633
N-[[(2R)-4-[2-(3-fluorophenoxy)ethyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine
CID 96998271
N-methyl-N-[[4-[3-(4-methyl-3-pyridinyl)propyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 167853689
N-methyl-N-[[(2S)-4-[2-(1,2,4-triazol-1-yl)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 96998278
3-[(2S)-2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]-1-piperidin-1-ylpropan-1-one
CID 96998264
[4-[(2-fluorophenyl)methyl]morpholin-2-yl]methanol
CID 79832856
N-ethyl-N-[[4-(1,2-oxazol-5-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine
CID 71928436
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]acetamide
CID 71872628
N-(furan-2-ylmethyl)-2-[2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]acetamide
CID 71872660
N,N-dimethyl-1-[(2R)-4-[(2-methylphenyl)methyl]morpholin-2-yl]methanamine
CID 95333023

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-[(2-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine?
The IUPAC name of N-[[(2S)-4-[(2-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine (CID 96998292) is N-[[(2S)-4-[(2-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine.
What is the SMILES notation for N-[[(2S)-4-[(2-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine?
The canonical SMILES for N-[[(2S)-4-[(2-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine is CN(C[C@@H]1CN(Cc2ccccc2F)CCO1)c1cccnn1.
What is the InChIKey of N-[[(2S)-4-[(2-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine?
The InChIKey is NNMWBLORYPDAGM-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-21(17-7-4-8-19-20-17)12-15-13-22(9-10-23-15)11-14-5-2-3-6-16(14)18/h2-8,15H,9-13H2,1H3/t15-/m1/s1.
What are the key properties of N-[[(2S)-4-[(2-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine?
N-[[(2S)-4-[(2-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine has a molecular weight of 316.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-[(2-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine is sourced from PubChem (CID 96998292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).