N-[(2,6-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine

C16H21N3O2 — CID 105188741

IUPACN-[(2,6-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccnnc1)c1c(OC)cccc1OC
InChIInChI=1S/C16H21N3O2/c1-4-9-17-16(12-8-10-18-19-11-12)15-13(20-2)6-5-7-14(15)21-3/h5-8,10-11,16-17H,4,9H2,1-3H3
InChIKeyRWFKZFLFVFLIRB-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.58
Rot. Bonds7

About N-[(2,6-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine

N-[(2,6-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine (PubChem CID 105188741) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(2,6-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,6-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine
PubChem CID105188741
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[(2,6-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccnnc1)c1c(OC)cccc1OC
InChIInChI=1S/C16H21N3O2/c1-4-9-17-16(12-8-10-18-19-11-12)15-13(20-2)6-5-7-14(15)21-3/h5-8,10-11,16-17H,4,9H2,1-3H3
InChIKeyRWFKZFLFVFLIRB-UHFFFAOYSA-N
XLogP2.58
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105093478
N-[(3,5-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105168364
N-[(2-fluoro-3-methoxyphenyl)-pyridazin-4-ylmethyl]ethanamine
CID 105174724
N-[(2,6-dimethoxyphenyl)-pyridin-4-ylmethyl]ethanamine
CID 116810303
N-[(2,6-dimethoxyphenyl)-pyridin-3-ylmethyl]ethanamine
CID 116810300
(2,6-dimethoxyphenyl)-pyridazin-4-ylmethanol
CID 105131599
N-[(5-chlorofuran-2-yl)-(2,6-dimethoxyphenyl)methyl]propan-1-amine
CID 106693326
N-[2-(3-fluoro-4-methoxyphenyl)-1-pyridazin-4-ylethyl]propan-1-amine
CID 105122244
N-[(2,6-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine
CID 116810640
N-[(2,4-dimethylphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105145275
N-[(5-fluoro-3-pyridinyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105102315
N-[(3-fluoro-4-pyridinyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105181955

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine?
The IUPAC name of N-[(2,6-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine (CID 105188741) is N-[(2,6-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(2,6-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(2,6-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine is CCCNC(c1ccnnc1)c1c(OC)cccc1OC.
What is the InChIKey of N-[(2,6-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine?
The InChIKey is RWFKZFLFVFLIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-9-17-16(12-8-10-18-19-11-12)15-13(20-2)6-5-7-14(15)21-3/h5-8,10-11,16-17H,4,9H2,1-3H3.
What are the key properties of N-[(2,6-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine?
N-[(2,6-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine has a molecular weight of 287.36 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine is sourced from PubChem (CID 105188741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).