N-(3-phenylbutyl)phthalazin-1-amine

C18H19N3 — CID 62986988

IUPACN-(3-phenylbutyl)phthalazin-1-amine
SMILESCC(CCNc1nncc2ccccc12)c1ccccc1
InChIInChI=1S/C18H19N3/c1-14(15-7-3-2-4-8-15)11-12-19-18-17-10-6-5-9-16(17)13-20-21-18/h2-10,13-14H,11-12H2,1H3,(H,19,21)
InChIKeyNJWQADLSXCYRBN-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.24
Rot. Bonds5

About N-(3-phenylbutyl)phthalazin-1-amine

N-(3-phenylbutyl)phthalazin-1-amine (PubChem CID 62986988) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(3-phenylbutyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(3-phenylbutyl)phthalazin-1-amine
PubChem CID62986988
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-(3-phenylbutyl)phthalazin-1-amine
SMILESCC(CCNc1nncc2ccccc12)c1ccccc1
InChIInChI=1S/C18H19N3/c1-14(15-7-3-2-4-8-15)11-12-19-18-17-10-6-5-9-16(17)13-20-21-18/h2-10,13-14H,11-12H2,1H3,(H,19,21)
InChIKeyNJWQADLSXCYRBN-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(7-methyloctyl)phthalazin-1-amine
CID 107816205
2-(phthalazin-1-ylamino)ethanol
CID 2065587
3-(phthalazin-1-ylamino)propanoic acid
CID 43419849
N-(2-methyl-3-methylsulfanylpropyl)phthalazin-1-amine
CID 63966800
N-(2,2-difluoroethyl)phthalazin-1-amine
CID 115407622
N-(4-phenylbutan-2-yl)phthalazin-1-amine
CID 60631726
N-[2-(2-aminoethoxy)ethyl]phthalazin-1-amine
CID 63767046
N-[2-(4-aminophenyl)ethyl]phthalazin-1-amine
CID 61220609
4,4-dimethyl-1-N-phthalazin-1-ylpentane-1,2-diamine
CID 107159159
N-(cyclopropylmethyl)phthalazin-1-amine
CID 43419855
methyl 6-(phthalazin-1-ylamino)hexanoate
CID 60631363
N-(3-phenylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 62402452

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylbutyl)phthalazin-1-amine?
The IUPAC name of N-(3-phenylbutyl)phthalazin-1-amine (CID 62986988) is N-(3-phenylbutyl)phthalazin-1-amine.
What is the SMILES notation for N-(3-phenylbutyl)phthalazin-1-amine?
The canonical SMILES for N-(3-phenylbutyl)phthalazin-1-amine is CC(CCNc1nncc2ccccc12)c1ccccc1.
What is the InChIKey of N-(3-phenylbutyl)phthalazin-1-amine?
The InChIKey is NJWQADLSXCYRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-14(15-7-3-2-4-8-15)11-12-19-18-17-10-6-5-9-16(17)13-20-21-18/h2-10,13-14H,11-12H2,1H3,(H,19,21).
What are the key properties of N-(3-phenylbutyl)phthalazin-1-amine?
N-(3-phenylbutyl)phthalazin-1-amine has a molecular weight of 277.37 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylbutyl)phthalazin-1-amine is sourced from PubChem (CID 62986988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).