N-(1-cyclohexylethyl)-4-phenylphthalazin-1-amine

C22H25N3 — CID 15295313

IUPACN-(1-cyclohexylethyl)-4-phenylphthalazin-1-amine
SMILESCC(Nc1nnc(-c2ccccc2)c2ccccc12)C1CCCCC1
InChIInChI=1S/C22H25N3/c1-16(17-10-4-2-5-11-17)23-22-20-15-9-8-14-19(20)21(24-25-22)18-12-6-3-7-13-18/h3,6-9,12-17H,2,4-5,10-11H2,1H3,(H,23,25)
InChIKeyOJBBUQUNTTVULM-UHFFFAOYSA-N
MW331.46 g/mol
LogP5.68
Rot. Bonds4

About N-(1-cyclohexylethyl)-4-phenylphthalazin-1-amine

N-(1-cyclohexylethyl)-4-phenylphthalazin-1-amine (PubChem CID 15295313) has the molecular formula C22H25N3 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-4-phenylphthalazin-1-amine.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-4-phenylphthalazin-1-amine
PubChem CID15295313
Molecular FormulaC22H25N3
Molecular Weight331.46 g/mol
Exact Mass331.20
IUPAC NameN-(1-cyclohexylethyl)-4-phenylphthalazin-1-amine
SMILESCC(Nc1nnc(-c2ccccc2)c2ccccc12)C1CCCCC1
InChIInChI=1S/C22H25N3/c1-16(17-10-4-2-5-11-17)23-22-20-15-9-8-14-19(20)21(24-25-22)18-12-6-3-7-13-18/h3,6-9,12-17H,2,4-5,10-11H2,1H3,(H,23,25)
InChIKeyOJBBUQUNTTVULM-UHFFFAOYSA-N
XLogP5.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-4-phenylphthalazin-1-amine?
The IUPAC name of N-(1-cyclohexylethyl)-4-phenylphthalazin-1-amine (CID 15295313) is N-(1-cyclohexylethyl)-4-phenylphthalazin-1-amine.
What is the SMILES notation for N-(1-cyclohexylethyl)-4-phenylphthalazin-1-amine?
The canonical SMILES for N-(1-cyclohexylethyl)-4-phenylphthalazin-1-amine is CC(Nc1nnc(-c2ccccc2)c2ccccc12)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)-4-phenylphthalazin-1-amine?
The InChIKey is OJBBUQUNTTVULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3/c1-16(17-10-4-2-5-11-17)23-22-20-15-9-8-14-19(20)21(24-25-22)18-12-6-3-7-13-18/h3,6-9,12-17H,2,4-5,10-11H2,1H3,(H,23,25).
What are the key properties of N-(1-cyclohexylethyl)-4-phenylphthalazin-1-amine?
N-(1-cyclohexylethyl)-4-phenylphthalazin-1-amine has a molecular weight of 331.46 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-4-phenylphthalazin-1-amine is sourced from PubChem (CID 15295313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).