1-(2-methoxyphenyl)-N-(pyridazin-3-ylmethyl)propan-2-amine

C15H19N3O — CID 106895370

IUPAC1-(2-methoxyphenyl)-N-(pyridazin-3-ylmethyl)propan-2-amine
SMILESCOc1ccccc1CC(C)NCc1cccnn1
InChIInChI=1S/C15H19N3O/c1-12(16-11-14-7-5-9-17-18-14)10-13-6-3-4-8-15(13)19-2/h3-9,12,16H,10-11H2,1-2H3
InChIKeyDPVCZGXCIBLYIX-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.21
Rot. Bonds6

About 1-(2-methoxyphenyl)-N-(pyridazin-3-ylmethyl)propan-2-amine

1-(2-methoxyphenyl)-N-(pyridazin-3-ylmethyl)propan-2-amine (PubChem CID 106895370) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-(pyridazin-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-(pyridazin-3-ylmethyl)propan-2-amine
PubChem CID106895370
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(2-methoxyphenyl)-N-(pyridazin-3-ylmethyl)propan-2-amine
SMILESCOc1ccccc1CC(C)NCc1cccnn1
InChIInChI=1S/C15H19N3O/c1-12(16-11-14-7-5-9-17-18-14)10-13-6-3-4-8-15(13)19-2/h3-9,12,16H,10-11H2,1-2H3
InChIKeyDPVCZGXCIBLYIX-UHFFFAOYSA-N
XLogP2.21
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine
CID 61285032
1-(2-fluoro-6-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895281
1-(furan-2-yl)-N-(pyridazin-3-ylmethyl)propan-2-amine
CID 106894984
N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine
CID 63452912
N-[(2-methoxyphenyl)methyl]-1-pyrazin-2-ylpropan-2-amine
CID 131963860
2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol
CID 18627851
N-(2-fluoroethyl)-1-(2-methoxyphenyl)propan-2-amine
CID 110174086
2-bromo-6-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]phenol
CID 61391582
2-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]-6-methylphenol
CID 115904873
1-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 55170907
1-(2-methoxyphenyl)propan-2-ylurea
CID 21433825
N-[[3-(methoxymethyl)phenyl]methyl]-1-(2-methoxyphenyl)propan-2-amine
CID 119165099

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-(pyridazin-3-ylmethyl)propan-2-amine?
The IUPAC name of 1-(2-methoxyphenyl)-N-(pyridazin-3-ylmethyl)propan-2-amine (CID 106895370) is 1-(2-methoxyphenyl)-N-(pyridazin-3-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-(pyridazin-3-ylmethyl)propan-2-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-(pyridazin-3-ylmethyl)propan-2-amine is COc1ccccc1CC(C)NCc1cccnn1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-(pyridazin-3-ylmethyl)propan-2-amine?
The InChIKey is DPVCZGXCIBLYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12(16-11-14-7-5-9-17-18-14)10-13-6-3-4-8-15(13)19-2/h3-9,12,16H,10-11H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-N-(pyridazin-3-ylmethyl)propan-2-amine?
1-(2-methoxyphenyl)-N-(pyridazin-3-ylmethyl)propan-2-amine has a molecular weight of 257.34 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-(pyridazin-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 106895370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).