1-(3-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine

C14H17N3O — CID 106895169

IUPAC1-(3-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine
SMILESCOc1cccc(C(C)NCc2cccnn2)c1
InChIInChI=1S/C14H17N3O/c1-11(12-5-3-7-14(9-12)18-2)15-10-13-6-4-8-16-17-13/h3-9,11,15H,10H2,1-2H3
InChIKeyHKJLYAMGAIPZOD-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.34
Rot. Bonds5

About 1-(3-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine

1-(3-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine (PubChem CID 106895169) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine
PubChem CID106895169
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(3-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine
SMILESCOc1cccc(C(C)NCc2cccnn2)c1
InChIInChI=1S/C14H17N3O/c1-11(12-5-3-7-14(9-12)18-2)15-10-13-6-4-8-16-17-13/h3-9,11,15H,10H2,1-2H3
InChIKeyHKJLYAMGAIPZOD-UHFFFAOYSA-N
XLogP2.34
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-bromo-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 112582155
(1R)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 82886390
(1R)-1-(3-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81376055
N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 54976078
(1S)-1-(3-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 95396037
1-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 43193663
4-[1-(pyridazin-3-ylmethylamino)ethyl]phenol
CID 106895349
3-[(3-methoxyphenyl)methyl]pyridazine
CID 117106572
N-[1-(3-methoxyphenyl)ethyl]-3-methylbutan-1-amine
CID 43193047
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 103729437
(1R)-1-(3-methoxyphenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine
CID 59803177
(1S)-N-[(2,6-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376003

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine?
The IUPAC name of 1-(3-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine (CID 106895169) is 1-(3-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine is COc1cccc(C(C)NCc2cccnn2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine?
The InChIKey is HKJLYAMGAIPZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-11(12-5-3-7-14(9-12)18-2)15-10-13-6-4-8-16-17-13/h3-9,11,15H,10H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine?
1-(3-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine has a molecular weight of 243.31 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine is sourced from PubChem (CID 106895169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).