N-[(3,6-dimethylpyridazin-4-yl)-phenylmethyl]ethanamine

C15H19N3 — CID 105083698

IUPACN-[(3,6-dimethylpyridazin-4-yl)-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)c1cc(C)nnc1C
InChIInChI=1S/C15H19N3/c1-4-16-15(13-8-6-5-7-9-13)14-10-11(2)17-18-12(14)3/h5-10,15-16H,4H2,1-3H3
InChIKeyGTSSTTICTQPKNU-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.79
Rot. Bonds4

About N-[(3,6-dimethylpyridazin-4-yl)-phenylmethyl]ethanamine

N-[(3,6-dimethylpyridazin-4-yl)-phenylmethyl]ethanamine (PubChem CID 105083698) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-[(3,6-dimethylpyridazin-4-yl)-phenylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3,6-dimethylpyridazin-4-yl)-phenylmethyl]ethanamine
PubChem CID105083698
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-[(3,6-dimethylpyridazin-4-yl)-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)c1cc(C)nnc1C
InChIInChI=1S/C15H19N3/c1-4-16-15(13-8-6-5-7-9-13)14-10-11(2)17-18-12(14)3/h5-10,15-16H,4H2,1-3H3
InChIKeyGTSSTTICTQPKNU-UHFFFAOYSA-N
XLogP2.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,6-dimethylpyridazin-4-yl)-pyridin-3-ylmethyl]ethanamine
CID 105098171
1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-phenylmethanamine
CID 105083769
N-[(3,6-dimethylpyridazin-4-yl)-(furan-2-yl)methyl]ethanamine
CID 105146876
N-[(2,5-dichlorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine
CID 105142190
N-[(3,6-dimethylpyridazin-4-yl)-(3-fluorophenyl)methyl]propan-1-amine
CID 105093062
N-[(3-chlorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]propan-1-amine
CID 105106643
N-[(3,6-dimethylpyridazin-4-yl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 105095516
N-[(3-ethyl-6-methylpyridazin-4-yl)-(4-ethylphenyl)methyl]ethanamine
CID 105121574
N-[(3,6-dimethylpyridazin-4-yl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 105086625
N-[(3-ethyl-6-methylpyridazin-4-yl)-(3-ethylphenyl)methyl]ethanamine
CID 105171145
1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105187892
N-benzhydrylethanamine;ethane
CID 142974710

Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dimethylpyridazin-4-yl)-phenylmethyl]ethanamine?
The IUPAC name of N-[(3,6-dimethylpyridazin-4-yl)-phenylmethyl]ethanamine (CID 105083698) is N-[(3,6-dimethylpyridazin-4-yl)-phenylmethyl]ethanamine.
What is the SMILES notation for N-[(3,6-dimethylpyridazin-4-yl)-phenylmethyl]ethanamine?
The canonical SMILES for N-[(3,6-dimethylpyridazin-4-yl)-phenylmethyl]ethanamine is CCNC(c1ccccc1)c1cc(C)nnc1C.
What is the InChIKey of N-[(3,6-dimethylpyridazin-4-yl)-phenylmethyl]ethanamine?
The InChIKey is GTSSTTICTQPKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-4-16-15(13-8-6-5-7-9-13)14-10-11(2)17-18-12(14)3/h5-10,15-16H,4H2,1-3H3.
What are the key properties of N-[(3,6-dimethylpyridazin-4-yl)-phenylmethyl]ethanamine?
N-[(3,6-dimethylpyridazin-4-yl)-phenylmethyl]ethanamine has a molecular weight of 241.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-dimethylpyridazin-4-yl)-phenylmethyl]ethanamine is sourced from PubChem (CID 105083698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).