2-[2-(4-methylphthalazin-1-yl)oxyethyl]aniline

C17H17N3O — CID 102902940

IUPAC2-[2-(4-methylphthalazin-1-yl)oxyethyl]aniline
SMILESCc1nnc(OCCc2ccccc2N)c2ccccc12
InChIInChI=1S/C17H17N3O/c1-12-14-7-3-4-8-15(14)17(20-19-12)21-11-10-13-6-2-5-9-16(13)18/h2-9H,10-11,18H2,1H3
InChIKeyMPYKXHBZFOPMBV-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.14
Rot. Bonds4

About 2-[2-(4-methylphthalazin-1-yl)oxyethyl]aniline

2-[2-(4-methylphthalazin-1-yl)oxyethyl]aniline (PubChem CID 102902940) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[2-(4-methylphthalazin-1-yl)oxyethyl]aniline.

Molecular Properties

Compound Name2-[2-(4-methylphthalazin-1-yl)oxyethyl]aniline
PubChem CID102902940
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-[2-(4-methylphthalazin-1-yl)oxyethyl]aniline
SMILESCc1nnc(OCCc2ccccc2N)c2ccccc12
InChIInChI=1S/C17H17N3O/c1-12-14-7-3-4-8-15(14)17(20-19-12)21-11-10-13-6-2-5-9-16(13)18/h2-9H,10-11,18H2,1H3
InChIKeyMPYKXHBZFOPMBV-UHFFFAOYSA-N
XLogP3.14
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(4-methylphthalazin-1-yl)oxyethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(5-chloro-2-methoxypyrimidin-4-yl)oxyethyl]aniline
CID 102902759
2-[2-(2,3-dimethylphenoxy)ethyl]aniline
CID 55079573
2-[2-(5-bromopyrimidin-4-yl)oxyethyl]aniline
CID 102902960
2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethyl]aniline
CID 102902774
2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]ethyl]aniline
CID 102902817
2-[2-(1,2,4-benzotriazin-3-yloxy)ethyl]aniline
CID 103204598
2-(2-ethoxyethyl)aniline
CID 14619442
2-[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethyl]aniline
CID 102902966
2-[2-(2-methylsulfanylphenoxy)ethyl]aniline
CID 63649319
2-[2-(2-bromo-4-methoxyphenoxy)ethyl]aniline
CID 104706778
6-[2-(2-aminophenyl)ethoxy]-N-methylpyridazine-3-carboxamide
CID 102902916
2-[2-(3-ethylphenoxy)ethyl]aniline
CID 62495247

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphthalazin-1-yl)oxyethyl]aniline?
The IUPAC name of 2-[2-(4-methylphthalazin-1-yl)oxyethyl]aniline (CID 102902940) is 2-[2-(4-methylphthalazin-1-yl)oxyethyl]aniline.
What is the SMILES notation for 2-[2-(4-methylphthalazin-1-yl)oxyethyl]aniline?
The canonical SMILES for 2-[2-(4-methylphthalazin-1-yl)oxyethyl]aniline is Cc1nnc(OCCc2ccccc2N)c2ccccc12.
What is the InChIKey of 2-[2-(4-methylphthalazin-1-yl)oxyethyl]aniline?
The InChIKey is MPYKXHBZFOPMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-14-7-3-4-8-15(14)17(20-19-12)21-11-10-13-6-2-5-9-16(13)18/h2-9H,10-11,18H2,1H3.
What are the key properties of 2-[2-(4-methylphthalazin-1-yl)oxyethyl]aniline?
2-[2-(4-methylphthalazin-1-yl)oxyethyl]aniline has a molecular weight of 279.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphthalazin-1-yl)oxyethyl]aniline is sourced from PubChem (CID 102902940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).