N-[(2-methoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine

C15H19N3O — CID 105093478

IUPACN-[(2-methoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccnnc1)c1ccccc1OC
InChIInChI=1S/C15H19N3O/c1-3-9-16-15(12-8-10-17-18-11-12)13-6-4-5-7-14(13)19-2/h4-8,10-11,15-16H,3,9H2,1-2H3
InChIKeyISPVDMSWXYTGOD-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.57
Rot. Bonds6

About N-[(2-methoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine

N-[(2-methoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine (PubChem CID 105093478) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine
PubChem CID105093478
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[(2-methoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccnnc1)c1ccccc1OC
InChIInChI=1S/C15H19N3O/c1-3-9-16-15(12-8-10-17-18-11-12)13-6-4-5-7-14(13)19-2/h4-8,10-11,15-16H,3,9H2,1-2H3
InChIKeyISPVDMSWXYTGOD-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,6-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105188741
N-[(2-fluoro-3-methoxyphenyl)-pyridazin-4-ylmethyl]ethanamine
CID 105174724
N-[(3,5-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105168364
N-[pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 105141520
N-[(2-ethoxyphenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 62802224
N-[(3-fluoro-4-pyridinyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105181955
N-[(2,3-dimethoxyphenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 105118919
N-[(2,4-dimethylphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105145275
N-[(3,4-difluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 43496515
N-[(2-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61330443
N-[(2-methoxyphenyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114686864
N-[(4-bromo-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792566

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine?
The IUPAC name of N-[(2-methoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine (CID 105093478) is N-[(2-methoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(2-methoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine is CCCNC(c1ccnnc1)c1ccccc1OC.
What is the InChIKey of N-[(2-methoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine?
The InChIKey is ISPVDMSWXYTGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-9-16-15(12-8-10-17-18-11-12)13-6-4-5-7-14(13)19-2/h4-8,10-11,15-16H,3,9H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine?
N-[(2-methoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine has a molecular weight of 257.34 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine is sourced from PubChem (CID 105093478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).