N-[3-(2-aminoethoxy)phenyl]phthalazin-1-amine

C16H16N4O — CID 63121028

IUPACN-[3-(2-aminoethoxy)phenyl]phthalazin-1-amine
SMILESNCCOc1cccc(Nc2nncc3ccccc23)c1
InChIInChI=1S/C16H16N4O/c17-8-9-21-14-6-3-5-13(10-14)19-16-15-7-2-1-4-12(15)11-18-20-16/h1-7,10-11H,8-9,17H2,(H,19,20)
InChIKeyHMMZFTDGPWMORB-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.71
Rot. Bonds5

About N-[3-(2-aminoethoxy)phenyl]phthalazin-1-amine

N-[3-(2-aminoethoxy)phenyl]phthalazin-1-amine (PubChem CID 63121028) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)phenyl]phthalazin-1-amine.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)phenyl]phthalazin-1-amine
PubChem CID63121028
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-[3-(2-aminoethoxy)phenyl]phthalazin-1-amine
SMILESNCCOc1cccc(Nc2nncc3ccccc23)c1
InChIInChI=1S/C16H16N4O/c17-8-9-21-14-6-3-5-13(10-14)19-16-15-7-2-1-4-12(15)11-18-20-16/h1-7,10-11H,8-9,17H2,(H,19,20)
InChIKeyHMMZFTDGPWMORB-UHFFFAOYSA-N
XLogP2.71
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-aminoethoxy)phenyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114787066
N-[3-(2-aminoethoxy)phenyl]-4,6-dimethylpyrimidin-2-amine
CID 63121057
N-[3-(2-aminoethoxy)phenyl]-3-bromo-5-methylpyridin-2-amine
CID 105367304
N-[2-(2-aminoethoxy)ethyl]phthalazin-1-amine
CID 63767046
N-[3-(2-aminoethoxy)phenyl]-5-bromo-4-methoxypyrimidin-2-amine
CID 106998107
N-[3-(2-aminoethoxy)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 63616720
N-[3-(2-aminoethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine
CID 63121097
4-(phthalazin-1-ylamino)phenol
CID 4131718
methyl 6-[3-(2-aminoethoxy)anilino]pyrazine-2-carboxylate
CID 66456161
N-[3-(2-aminoethoxy)phenyl]-6-ethoxypyridin-2-amine
CID 63590964
methyl 6-[3-(2-aminoethoxy)anilino]pyridazine-3-carboxylate
CID 63121112
N-(1H-indol-5-yl)phthalazin-1-amine
CID 59373118

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)phenyl]phthalazin-1-amine?
The IUPAC name of N-[3-(2-aminoethoxy)phenyl]phthalazin-1-amine (CID 63121028) is N-[3-(2-aminoethoxy)phenyl]phthalazin-1-amine.
What is the SMILES notation for N-[3-(2-aminoethoxy)phenyl]phthalazin-1-amine?
The canonical SMILES for N-[3-(2-aminoethoxy)phenyl]phthalazin-1-amine is NCCOc1cccc(Nc2nncc3ccccc23)c1.
What is the InChIKey of N-[3-(2-aminoethoxy)phenyl]phthalazin-1-amine?
The InChIKey is HMMZFTDGPWMORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-8-9-21-14-6-3-5-13(10-14)19-16-15-7-2-1-4-12(15)11-18-20-16/h1-7,10-11H,8-9,17H2,(H,19,20).
What are the key properties of N-[3-(2-aminoethoxy)phenyl]phthalazin-1-amine?
N-[3-(2-aminoethoxy)phenyl]phthalazin-1-amine has a molecular weight of 280.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)phenyl]phthalazin-1-amine is sourced from PubChem (CID 63121028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).