N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(2,4,6-trimethylphenyl)phthalazin-1-amine

C26H27N3O — CID 67260356

IUPACN-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(2,4,6-trimethylphenyl)phthalazin-1-amine
SMILESCOc1ccc([C@@H](C)Nc2nnc(-c3c(C)cc(C)cc3C)c3ccccc23)cc1
InChIInChI=1S/C26H27N3O/c1-16-14-17(2)24(18(3)15-16)25-22-8-6-7-9-23(22)26(29-28-25)27-19(4)20-10-12-21(30-5)13-11-20/h6-15,19H,1-5H3,(H,27,29)/t19-/m1/s1
InChIKeyGKZUJEZATILVSP-LJQANCHMSA-N
MW397.52 g/mol
LogP6.40
Rot. Bonds5

About N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(2,4,6-trimethylphenyl)phthalazin-1-amine

N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(2,4,6-trimethylphenyl)phthalazin-1-amine (PubChem CID 67260356) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(2,4,6-trimethylphenyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(2,4,6-trimethylphenyl)phthalazin-1-amine
PubChem CID67260356
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(2,4,6-trimethylphenyl)phthalazin-1-amine
SMILESCOc1ccc([C@@H](C)Nc2nnc(-c3c(C)cc(C)cc3C)c3ccccc23)cc1
InChIInChI=1S/C26H27N3O/c1-16-14-17(2)24(18(3)15-16)25-22-8-6-7-9-23(22)26(29-28-25)27-19(4)20-10-12-21(30-5)13-11-20/h6-15,19H,1-5H3,(H,27,29)/t19-/m1/s1
InChIKeyGKZUJEZATILVSP-LJQANCHMSA-N
XLogP6.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-4-methylphthalazin-1-amine
CID 3124064
1-(4-Ethoxyphenyl)-4-(piperidin-1-yl)phthalazine
CID 6401112
4-(4-ethoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine
CID 6407032
4-(4-((4-Methoxyphenyl)amino)phthalazin-1-yl)phenol
CID 1394168
4-(4-methoxyphenyl)-N-phenylphthalazin-1-amine
CID 5494639
1-Chloro-4-(4-methoxy-benzylamino)-phthalazine-6-carbonitrile
CID 10592106
1-Chloro-4-[1-(3-chloro-4-methoxy-phenyl)-ethylamino]-phthalazine-6-carbonitrile
CID 10833134
4-methoxy-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-7-piperazin-1-ylphthalazin-1-amine
CID 156496046
Sos1-IN-13
CID 156496067
6,7-dimethoxy-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]phthalazin-1-amine
CID 156526976
4-[4-(4-Ethoxyphenyl)phthalazin-1-yl]morpholine
CID 6401111
US11702418, Example 7-4
CID 156526664

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(2,4,6-trimethylphenyl)phthalazin-1-amine?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(2,4,6-trimethylphenyl)phthalazin-1-amine (CID 67260356) is N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(2,4,6-trimethylphenyl)phthalazin-1-amine.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(2,4,6-trimethylphenyl)phthalazin-1-amine?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(2,4,6-trimethylphenyl)phthalazin-1-amine is COc1ccc([C@@H](C)Nc2nnc(-c3c(C)cc(C)cc3C)c3ccccc23)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(2,4,6-trimethylphenyl)phthalazin-1-amine?
The InChIKey is GKZUJEZATILVSP-LJQANCHMSA-N. The full InChI is InChI=1S/C26H27N3O/c1-16-14-17(2)24(18(3)15-16)25-22-8-6-7-9-23(22)26(29-28-25)27-19(4)20-10-12-21(30-5)13-11-20/h6-15,19H,1-5H3,(H,27,29)/t19-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(2,4,6-trimethylphenyl)phthalazin-1-amine?
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(2,4,6-trimethylphenyl)phthalazin-1-amine has a molecular weight of 397.52 g/mol, XLogP of 6.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(2,4,6-trimethylphenyl)phthalazin-1-amine is sourced from PubChem (CID 67260356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).