4-methyl-N-(2-phenylethyl)phthalazin-1-amine

C17H17N3 — CID 6416438

IUPAC4-methyl-N-(2-phenylethyl)phthalazin-1-amine
SMILESCc1nnc(NCCc2ccccc2)c2ccccc12
InChIInChI=1S/C17H17N3/c1-13-15-9-5-6-10-16(15)17(20-19-13)18-12-11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,18,20)
InChIKeyHAMQQKTWBRIYLP-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.59
Rot. Bonds4

About 4-methyl-N-(2-phenylethyl)phthalazin-1-amine

4-methyl-N-(2-phenylethyl)phthalazin-1-amine (PubChem CID 6416438) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-methyl-N-(2-phenylethyl)phthalazin-1-amine.

Molecular Properties

Compound Name4-methyl-N-(2-phenylethyl)phthalazin-1-amine
PubChem CID6416438
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name4-methyl-N-(2-phenylethyl)phthalazin-1-amine
SMILESCc1nnc(NCCc2ccccc2)c2ccccc12
InChIInChI=1S/C17H17N3/c1-13-15-9-5-6-10-16(15)17(20-19-13)18-12-11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,18,20)
InChIKeyHAMQQKTWBRIYLP-UHFFFAOYSA-N
XLogP3.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-(2-phenylethyl)phthalazin-1-amine 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

Sos1-IN-12
CID 156495874
N-benzyl-4-methylphthalazin-1-amine
CID 6401675
1-Benzyl-4-(4-phenylpiperazin-1-yl)phthalazine
CID 6404568
N-(4-fluorophenyl)phthalazin-1-amine
CID 134152648
N-[(3-chlorophenyl)methyl]-4-methylphthalazin-1-amine
CID 6416437
N-benzyl-4-(4-methylphenyl)phthalazin-1-amine
CID 6401678
4-(4-chlorophenyl)-N-[2-(pyrrolidin-1-yl)ethyl]phthalazin-1-amine
CID 1069155
N-(4-fluorophenyl)-4-methylphthalazin-1-amine
CID 1386569
1-(4-Fluorophenyl)-4-(4-methylpiperazin-1-yl)phthalazine
CID 6408839
N-benzyl-N'-(3-methylphenyl)pyridazine-3,6-diamine
CID 6415561
2-[(4-Methyl-1-phthalazinyl)amino]ethanol
CID 6408686
N-(4-methylphenyl)-4-phenylphthalazin-1-amine
CID 3124067

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-phenylethyl)phthalazin-1-amine?
The IUPAC name of 4-methyl-N-(2-phenylethyl)phthalazin-1-amine (CID 6416438) is 4-methyl-N-(2-phenylethyl)phthalazin-1-amine.
What is the SMILES notation for 4-methyl-N-(2-phenylethyl)phthalazin-1-amine?
The canonical SMILES for 4-methyl-N-(2-phenylethyl)phthalazin-1-amine is Cc1nnc(NCCc2ccccc2)c2ccccc12.
What is the InChIKey of 4-methyl-N-(2-phenylethyl)phthalazin-1-amine?
The InChIKey is HAMQQKTWBRIYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-13-15-9-5-6-10-16(15)17(20-19-13)18-12-11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,18,20).
What are the key properties of 4-methyl-N-(2-phenylethyl)phthalazin-1-amine?
4-methyl-N-(2-phenylethyl)phthalazin-1-amine has a molecular weight of 263.34 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-phenylethyl)phthalazin-1-amine is sourced from PubChem (CID 6416438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).