2-methoxy-N-methyl-N-[[4-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)phenyl]methyl]ethanamine

C18H22N4O — CID 171388144

IUPAC2-methoxy-N-methyl-N-[[4-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)phenyl]methyl]ethanamine
SMILESCOCCN(C)Cc1ccc(-c2c(C)nn3ncccc23)cc1
InChIInChI=1S/C18H22N4O/c1-14-18(17-5-4-10-19-22(17)20-14)16-8-6-15(7-9-16)13-21(2)11-12-23-3/h4-10H,11-13H2,1-3H3
InChIKeyRLWZZLPSMKUUBX-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.78
Rot. Bonds6

About 2-methoxy-N-methyl-N-[[4-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)phenyl]methyl]ethanamine

2-methoxy-N-methyl-N-[[4-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)phenyl]methyl]ethanamine (PubChem CID 171388144) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-[[4-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-[[4-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)phenyl]methyl]ethanamine
PubChem CID171388144
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-methoxy-N-methyl-N-[[4-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)phenyl]methyl]ethanamine
SMILESCOCCN(C)Cc1ccc(-c2c(C)nn3ncccc23)cc1
InChIInChI=1S/C18H22N4O/c1-14-18(17-5-4-10-19-22(17)20-14)16-8-6-15(7-9-16)13-21(2)11-12-23-3/h4-10H,11-13H2,1-3H3
InChIKeyRLWZZLPSMKUUBX-UHFFFAOYSA-N
XLogP2.78
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-methyl-N-[(4-methylphenyl)methyl]ethanamine
CID 22951575
ethane;2-methoxy-N-methyl-N-[(4-methylphenyl)methyl]ethanamine
CID 143902975
2-methoxy-N-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-N-methylethanamine
CID 171480765
N'-ethyl-N'-(2-methoxyethyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 168901210
N-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-2-methoxy-N-methylethanamine
CID 141366779
2-methoxy-N-[(4-methylphenyl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]ethanamine
CID 46995980
4-[[2-methoxyethyl(methyl)amino]methyl]benzenecarbothioamide
CID 61427647
2-methoxy-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 70831051
5-O-[2-[benzyl(methyl)amino]ethyl] 3-O-methyl 2,6-dimethyl-4-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 14303276
2-(2-chloroethoxy)-N-methyl-N-[(4-methylphenyl)methyl]ethanamine
CID 63666093
2-methoxy-N-[(4-methylphenyl)methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]ethanamine
CID 46997104
N-methyl-1-(4-methylphenyl)-N-[(4-pyrimidin-2-ylphenyl)methyl]methanamine
CID 91342631

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-[[4-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)phenyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-methyl-N-[[4-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)phenyl]methyl]ethanamine (CID 171388144) is 2-methoxy-N-methyl-N-[[4-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-methyl-N-[[4-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)phenyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-methyl-N-[[4-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)phenyl]methyl]ethanamine is COCCN(C)Cc1ccc(-c2c(C)nn3ncccc23)cc1.
What is the InChIKey of 2-methoxy-N-methyl-N-[[4-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)phenyl]methyl]ethanamine?
The InChIKey is RLWZZLPSMKUUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-14-18(17-5-4-10-19-22(17)20-14)16-8-6-15(7-9-16)13-21(2)11-12-23-3/h4-10H,11-13H2,1-3H3.
What are the key properties of 2-methoxy-N-methyl-N-[[4-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)phenyl]methyl]ethanamine?
2-methoxy-N-methyl-N-[[4-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)phenyl]methyl]ethanamine has a molecular weight of 310.40 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-[[4-(2-methylpyrazolo[1,5-b]pyridazin-3-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 171388144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).