N-(2,2-dimethylpropyl)-4-phenylphthalazin-1-amine

C19H21N3 — CID 6410595

IUPACN-(2,2-dimethylpropyl)-4-phenylphthalazin-1-amine
SMILESCC(C)(C)CNc1nnc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C19H21N3/c1-19(2,3)13-20-18-16-12-8-7-11-15(16)17(21-22-18)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H,20,22)
InChIKeyMLAKAXGSWVFAMA-UHFFFAOYSA-N
MW291.40 g/mol
LogP4.75
Rot. Bonds3

About N-(2,2-dimethylpropyl)-4-phenylphthalazin-1-amine

N-(2,2-dimethylpropyl)-4-phenylphthalazin-1-amine (PubChem CID 6410595) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-phenylphthalazin-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-phenylphthalazin-1-amine
PubChem CID6410595
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC NameN-(2,2-dimethylpropyl)-4-phenylphthalazin-1-amine
SMILESCC(C)(C)CNc1nnc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C19H21N3/c1-19(2,3)13-20-18-16-12-8-7-11-15(16)17(21-22-18)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H,20,22)
InChIKeyMLAKAXGSWVFAMA-UHFFFAOYSA-N
XLogP4.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-4-phenylphthalazin-1-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-4-phenylphthalazin-1-amine (CID 6410595) is N-(2,2-dimethylpropyl)-4-phenylphthalazin-1-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-phenylphthalazin-1-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-phenylphthalazin-1-amine is CC(C)(C)CNc1nnc(-c2ccccc2)c2ccccc12.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-phenylphthalazin-1-amine?
The InChIKey is MLAKAXGSWVFAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-19(2,3)13-20-18-16-12-8-7-11-15(16)17(21-22-18)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H,20,22).
What are the key properties of N-(2,2-dimethylpropyl)-4-phenylphthalazin-1-amine?
N-(2,2-dimethylpropyl)-4-phenylphthalazin-1-amine has a molecular weight of 291.40 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-phenylphthalazin-1-amine is sourced from PubChem (CID 6410595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).