N-[(3,5-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine

C16H21N3O2 — CID 105168364

IUPACN-[(3,5-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccnnc1)c1cc(OC)cc(OC)c1
InChIInChI=1S/C16H21N3O2/c1-4-6-17-16(12-5-7-18-19-11-12)13-8-14(20-2)10-15(9-13)21-3/h5,7-11,16-17H,4,6H2,1-3H3
InChIKeyLTLXJCMACYGUKP-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.58
Rot. Bonds7

About N-[(3,5-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine

N-[(3,5-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine (PubChem CID 105168364) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine
PubChem CID105168364
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[(3,5-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccnnc1)c1cc(OC)cc(OC)c1
InChIInChI=1S/C16H21N3O2/c1-4-6-17-16(12-5-7-18-19-11-12)13-8-14(20-2)10-15(9-13)21-3/h5,7-11,16-17H,4,6H2,1-3H3
InChIKeyLTLXJCMACYGUKP-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-[(2,6-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105188741
N-[(2-methoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105093478
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-[(4-fluoro-3-methylphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105142994
N-[(4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106754926
N-[2,3-dihydro-1-benzofuran-5-yl(pyridazin-4-yl)methyl]propan-1-amine
CID 105180168
N-[(3-fluoro-4-pyridinyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105181955
N-[(3,5-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine
CID 105168373
N-[(4-methoxy-2,5-dimethylphenyl)-pyridazin-4-ylmethyl]ethanamine
CID 105179018
N-[(4-methoxy-2-methylphenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 43495597
N-[2-(3-fluoro-4-methoxyphenyl)-1-pyridazin-4-ylethyl]propan-1-amine
CID 105122244

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine?
The IUPAC name of N-[(3,5-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine (CID 105168364) is N-[(3,5-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine is CCCNC(c1ccnnc1)c1cc(OC)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine?
The InChIKey is LTLXJCMACYGUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-6-17-16(12-5-7-18-19-11-12)13-8-14(20-2)10-15(9-13)21-3/h5,7-11,16-17H,4,6H2,1-3H3.
What are the key properties of N-[(3,5-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine?
N-[(3,5-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-[(3,5-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine is sourced from PubChem (CID 105168364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).