N-ethyl-1-phthalazin-1-ylpropan-2-amine

C13H17N3 — CID 63200208

IUPACN-ethyl-1-phthalazin-1-ylpropan-2-amine
SMILESCCNC(C)Cc1nncc2ccccc12
InChIInChI=1S/C13H17N3/c1-3-14-10(2)8-13-12-7-5-4-6-11(12)9-15-16-13/h4-7,9-10,14H,3,8H2,1-2H3
InChIKeyHWTFDVVPZICZIV-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.17
Rot. Bonds4

About N-ethyl-1-phthalazin-1-ylpropan-2-amine

N-ethyl-1-phthalazin-1-ylpropan-2-amine (PubChem CID 63200208) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-ethyl-1-phthalazin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-phthalazin-1-ylpropan-2-amine
PubChem CID63200208
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-ethyl-1-phthalazin-1-ylpropan-2-amine
SMILESCCNC(C)Cc1nncc2ccccc12
InChIInChI=1S/C13H17N3/c1-3-14-10(2)8-13-12-7-5-4-6-11(12)9-15-16-13/h4-7,9-10,14H,3,8H2,1-2H3
InChIKeyHWTFDVVPZICZIV-UHFFFAOYSA-N
XLogP2.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-phthalazin-1-ylpropan-2-amine?
The IUPAC name of N-ethyl-1-phthalazin-1-ylpropan-2-amine (CID 63200208) is N-ethyl-1-phthalazin-1-ylpropan-2-amine.
What is the SMILES notation for N-ethyl-1-phthalazin-1-ylpropan-2-amine?
The canonical SMILES for N-ethyl-1-phthalazin-1-ylpropan-2-amine is CCNC(C)Cc1nncc2ccccc12.
What is the InChIKey of N-ethyl-1-phthalazin-1-ylpropan-2-amine?
The InChIKey is HWTFDVVPZICZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-3-14-10(2)8-13-12-7-5-4-6-11(12)9-15-16-13/h4-7,9-10,14H,3,8H2,1-2H3.
What are the key properties of N-ethyl-1-phthalazin-1-ylpropan-2-amine?
N-ethyl-1-phthalazin-1-ylpropan-2-amine has a molecular weight of 215.30 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-phthalazin-1-ylpropan-2-amine is sourced from PubChem (CID 63200208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).