N-methyl-N-(1-phenylethyl)-4-(2,4,6-trimethylphenyl)phthalazin-1-amine

C26H27N3 — CID 58326534

IUPACN-methyl-N-(1-phenylethyl)-4-(2,4,6-trimethylphenyl)phthalazin-1-amine
SMILESCc1cc(C)c(-c2nnc(N(C)C(C)c3ccccc3)c3ccccc23)c(C)c1
InChIInChI=1S/C26H27N3/c1-17-15-18(2)24(19(3)16-17)25-22-13-9-10-14-23(22)26(28-27-25)29(5)20(4)21-11-7-6-8-12-21/h6-16,20H,1-5H3
InChIKeyLBENVRAPCPUPHS-UHFFFAOYSA-N
MW381.52 g/mol
LogP6.42
Rot. Bonds4

About N-methyl-N-(1-phenylethyl)-4-(2,4,6-trimethylphenyl)phthalazin-1-amine

N-methyl-N-(1-phenylethyl)-4-(2,4,6-trimethylphenyl)phthalazin-1-amine (PubChem CID 58326534) has the molecular formula C26H27N3 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-methyl-N-(1-phenylethyl)-4-(2,4,6-trimethylphenyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-methyl-N-(1-phenylethyl)-4-(2,4,6-trimethylphenyl)phthalazin-1-amine
PubChem CID58326534
Molecular FormulaC26H27N3
Molecular Weight381.52 g/mol
Exact Mass381.22
IUPAC NameN-methyl-N-(1-phenylethyl)-4-(2,4,6-trimethylphenyl)phthalazin-1-amine
SMILESCc1cc(C)c(-c2nnc(N(C)C(C)c3ccccc3)c3ccccc23)c(C)c1
InChIInChI=1S/C26H27N3/c1-17-15-18(2)24(19(3)16-17)25-22-13-9-10-14-23(22)26(28-27-25)29(5)20(4)21-11-7-6-8-12-21/h6-16,20H,1-5H3
InChIKeyLBENVRAPCPUPHS-UHFFFAOYSA-N
XLogP6.42
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-phenylethyl)-4-(2,4,6-trimethylphenyl)phthalazin-1-amine?
The IUPAC name of N-methyl-N-(1-phenylethyl)-4-(2,4,6-trimethylphenyl)phthalazin-1-amine (CID 58326534) is N-methyl-N-(1-phenylethyl)-4-(2,4,6-trimethylphenyl)phthalazin-1-amine.
What is the SMILES notation for N-methyl-N-(1-phenylethyl)-4-(2,4,6-trimethylphenyl)phthalazin-1-amine?
The canonical SMILES for N-methyl-N-(1-phenylethyl)-4-(2,4,6-trimethylphenyl)phthalazin-1-amine is Cc1cc(C)c(-c2nnc(N(C)C(C)c3ccccc3)c3ccccc23)c(C)c1.
What is the InChIKey of N-methyl-N-(1-phenylethyl)-4-(2,4,6-trimethylphenyl)phthalazin-1-amine?
The InChIKey is LBENVRAPCPUPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3/c1-17-15-18(2)24(19(3)16-17)25-22-13-9-10-14-23(22)26(28-27-25)29(5)20(4)21-11-7-6-8-12-21/h6-16,20H,1-5H3.
What are the key properties of N-methyl-N-(1-phenylethyl)-4-(2,4,6-trimethylphenyl)phthalazin-1-amine?
N-methyl-N-(1-phenylethyl)-4-(2,4,6-trimethylphenyl)phthalazin-1-amine has a molecular weight of 381.52 g/mol, XLogP of 6.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-phenylethyl)-4-(2,4,6-trimethylphenyl)phthalazin-1-amine is sourced from PubChem (CID 58326534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).