N-methyl-2-(4-methylphthalazin-1-yl)oxyethanamine

C12H15N3O — CID 62349176

IUPACN-methyl-2-(4-methylphthalazin-1-yl)oxyethanamine
SMILESCNCCOc1nnc(C)c2ccccc12
InChIInChI=1S/C12H15N3O/c1-9-10-5-3-4-6-11(10)12(15-14-9)16-8-7-13-2/h3-6,13H,7-8H2,1-2H3
InChIKeyXMIWRULOZLVKIX-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.54
Rot. Bonds4

About N-methyl-2-(4-methylphthalazin-1-yl)oxyethanamine

N-methyl-2-(4-methylphthalazin-1-yl)oxyethanamine (PubChem CID 62349176) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-methyl-2-(4-methylphthalazin-1-yl)oxyethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-methylphthalazin-1-yl)oxyethanamine
PubChem CID62349176
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-methyl-2-(4-methylphthalazin-1-yl)oxyethanamine
SMILESCNCCOc1nnc(C)c2ccccc12
InChIInChI=1S/C12H15N3O/c1-9-10-5-3-4-6-11(10)12(15-14-9)16-8-7-13-2/h3-6,13H,7-8H2,1-2H3
InChIKeyXMIWRULOZLVKIX-UHFFFAOYSA-N
XLogP1.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-methylphthalazin-1-yl)oxyethyl]aniline
CID 102902940
N-methyl-2-[(3-methyl-2-pyridinyl)oxy]ethanamine
CID 62348489
1-butoxy-4-(2,6-dimethylphenyl)phthalazine
CID 58326573
N-methyl-2-(2-methylphenoxy)ethanamine;hydrochloride
CID 17178031
2-(2-methoxyphenoxy)-N-methylethanamine;hydrochloride
CID 19749083
1-(2-iodophenoxy)-4-methylphthalazine
CID 60965908
2-(5-bromo-3-methylpyrazin-2-yl)oxy-N-methylethanamine
CID 167350958
2-(1,4-diphenylpyrazol-3-yl)oxy-N-methylethanamine
CID 3046994
N-[3-(cyclopropylmethoxy)propyl]-4-methylphthalazin-1-amine
CID 103603387
N-methyl-3-phenoxypropan-1-amine
CID 22067856
N-ethyl-4-methylphthalazin-1-amine
CID 43395120
2-[2-(2-chlorophenyl)-4-methylphenoxy]-N-methylethanamine
CID 56704461

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylphthalazin-1-yl)oxyethanamine?
The IUPAC name of N-methyl-2-(4-methylphthalazin-1-yl)oxyethanamine (CID 62349176) is N-methyl-2-(4-methylphthalazin-1-yl)oxyethanamine.
What is the SMILES notation for N-methyl-2-(4-methylphthalazin-1-yl)oxyethanamine?
The canonical SMILES for N-methyl-2-(4-methylphthalazin-1-yl)oxyethanamine is CNCCOc1nnc(C)c2ccccc12.
What is the InChIKey of N-methyl-2-(4-methylphthalazin-1-yl)oxyethanamine?
The InChIKey is XMIWRULOZLVKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-10-5-3-4-6-11(10)12(15-14-9)16-8-7-13-2/h3-6,13H,7-8H2,1-2H3.
What are the key properties of N-methyl-2-(4-methylphthalazin-1-yl)oxyethanamine?
N-methyl-2-(4-methylphthalazin-1-yl)oxyethanamine has a molecular weight of 217.27 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylphthalazin-1-yl)oxyethanamine is sourced from PubChem (CID 62349176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).