N-[(6-methoxypyridazin-3-yl)-(3-methylphenyl)methyl]ethanamine

C15H19N3O — CID 103374514

IUPACN-[(6-methoxypyridazin-3-yl)-(3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)c1ccc(OC)nn1
InChIInChI=1S/C15H19N3O/c1-4-16-15(12-7-5-6-11(2)10-12)13-8-9-14(19-3)18-17-13/h5-10,15-16H,4H2,1-3H3
InChIKeyHCMCORNUOPFTTH-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.49
Rot. Bonds5

About N-[(6-methoxypyridazin-3-yl)-(3-methylphenyl)methyl]ethanamine

N-[(6-methoxypyridazin-3-yl)-(3-methylphenyl)methyl]ethanamine (PubChem CID 103374514) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[(6-methoxypyridazin-3-yl)-(3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(6-methoxypyridazin-3-yl)-(3-methylphenyl)methyl]ethanamine
PubChem CID103374514
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[(6-methoxypyridazin-3-yl)-(3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)c1ccc(OC)nn1
InChIInChI=1S/C15H19N3O/c1-4-16-15(12-7-5-6-11(2)10-12)13-8-9-14(19-3)18-17-13/h5-10,15-16H,4H2,1-3H3
InChIKeyHCMCORNUOPFTTH-UHFFFAOYSA-N
XLogP2.49
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-methoxypyridazin-3-yl)-(4-methylphenyl)methyl]ethanamine
CID 103374615
N-[(3-chloro-4-methylphenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine
CID 107560822
N-[(3,4-dimethoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 43488776
N-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 60797781
N-[(3-chlorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
CID 103374829
2-(2,5-dimethylphenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103374401
N-[(3-methoxypyrazin-2-yl)-(3-methylphenyl)methyl]ethanamine
CID 104515368
N-[(3-methylphenyl)-quinoxalin-2-ylmethyl]ethanamine
CID 107356920
N-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 115790055
N-[(2,6-difluoro-4-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 60964653
N-[(3-methylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105090650
N-[cyclohexen-1-yl-(6-methoxypyridazin-3-yl)methyl]ethanamine
CID 106654822

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxypyridazin-3-yl)-(3-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(6-methoxypyridazin-3-yl)-(3-methylphenyl)methyl]ethanamine (CID 103374514) is N-[(6-methoxypyridazin-3-yl)-(3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(6-methoxypyridazin-3-yl)-(3-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(6-methoxypyridazin-3-yl)-(3-methylphenyl)methyl]ethanamine is CCNC(c1cccc(C)c1)c1ccc(OC)nn1.
What is the InChIKey of N-[(6-methoxypyridazin-3-yl)-(3-methylphenyl)methyl]ethanamine?
The InChIKey is HCMCORNUOPFTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-4-16-15(12-7-5-6-11(2)10-12)13-8-9-14(19-3)18-17-13/h5-10,15-16H,4H2,1-3H3.
What are the key properties of N-[(6-methoxypyridazin-3-yl)-(3-methylphenyl)methyl]ethanamine?
N-[(6-methoxypyridazin-3-yl)-(3-methylphenyl)methyl]ethanamine has a molecular weight of 257.34 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxypyridazin-3-yl)-(3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 103374514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).