N-(4-phenylbutan-2-yl)phthalazin-1-amine

C18H19N3 — CID 60631726

IUPACN-(4-phenylbutan-2-yl)phthalazin-1-amine
SMILESCC(CCc1ccccc1)Nc1nncc2ccccc12
InChIInChI=1S/C18H19N3/c1-14(11-12-15-7-3-2-4-8-15)20-18-17-10-6-5-9-16(17)13-19-21-18/h2-10,13-14H,11-12H2,1H3,(H,20,21)
InChIKeyLZDPHJCJLWGBLS-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.06
Rot. Bonds5

About N-(4-phenylbutan-2-yl)phthalazin-1-amine

N-(4-phenylbutan-2-yl)phthalazin-1-amine (PubChem CID 60631726) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)phthalazin-1-amine
PubChem CID60631726
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-(4-phenylbutan-2-yl)phthalazin-1-amine
SMILESCC(CCc1ccccc1)Nc1nncc2ccccc12
InChIInChI=1S/C18H19N3/c1-14(11-12-15-7-3-2-4-8-15)20-18-17-10-6-5-9-16(17)13-19-21-18/h2-10,13-14H,11-12H2,1H3,(H,20,21)
InChIKeyLZDPHJCJLWGBLS-UHFFFAOYSA-N
XLogP4.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-pyrazol-1-ylpropan-2-yl)phthalazin-1-amine
CID 54937576
3-(4-phenylbutan-2-ylamino)pyridazine-4-carbonitrile
CID 80510445
N-(3-phenylbutyl)phthalazin-1-amine
CID 62986988
2-chloro-5-fluoro-N-(4-phenylbutan-2-yl)pyrimidin-4-amine
CID 79081085
N-[(Z)-4-phenylbutylideneamino]phthalazin-1-amine
CID 70876978
N-(4-phenylbutan-2-yl)thiadiazol-5-amine
CID 107649389
5-chloro-2-N-methyl-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine
CID 80811720
N-(7-methyloctyl)phthalazin-1-amine
CID 107816205
N-(1-chloro-3-methoxypropan-2-yl)phthalazin-1-amine
CID 106182000
N-(1-pyridin-3-ylethyl)phthalazin-1-amine
CID 43396321
N-(2-methyl-3-methylsulfanylpropyl)phthalazin-1-amine
CID 63966800
N-(4-phenylbutan-2-yl)quinoxalin-2-amine
CID 60716412

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)phthalazin-1-amine?
The IUPAC name of N-(4-phenylbutan-2-yl)phthalazin-1-amine (CID 60631726) is N-(4-phenylbutan-2-yl)phthalazin-1-amine.
What is the SMILES notation for N-(4-phenylbutan-2-yl)phthalazin-1-amine?
The canonical SMILES for N-(4-phenylbutan-2-yl)phthalazin-1-amine is CC(CCc1ccccc1)Nc1nncc2ccccc12.
What is the InChIKey of N-(4-phenylbutan-2-yl)phthalazin-1-amine?
The InChIKey is LZDPHJCJLWGBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-14(11-12-15-7-3-2-4-8-15)20-18-17-10-6-5-9-16(17)13-19-21-18/h2-10,13-14H,11-12H2,1H3,(H,20,21).
What are the key properties of N-(4-phenylbutan-2-yl)phthalazin-1-amine?
N-(4-phenylbutan-2-yl)phthalazin-1-amine has a molecular weight of 277.37 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)phthalazin-1-amine is sourced from PubChem (CID 60631726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).