6,7-dimethoxy-4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]phthalazin-1-amine

C22H28N4O2 — CID 156527263

IUPAC6,7-dimethoxy-4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]phthalazin-1-amine
SMILESCNCc1cccc([C@@H](C)Nc2nnc(C)c3cc(OC)c(OC)cc23)c1C
InChIInChI=1S/C22H28N4O2/c1-13-16(12-23-4)8-7-9-17(13)14(2)24-22-19-11-21(28-6)20(27-5)10-18(19)15(3)25-26-22/h7-11,14,23H,12H2,1-6H3,(H,24,26)/t14-/m1/s1
InChIKeyFFEYEOLBBHNNSW-CQSZACIVSA-N
MW380.49 g/mol
LogP4.16
Rot. Bonds7

About 6,7-dimethoxy-4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]phthalazin-1-amine

6,7-dimethoxy-4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]phthalazin-1-amine (PubChem CID 156527263) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 6,7-dimethoxy-4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]phthalazin-1-amine.

Molecular Properties

Compound Name6,7-dimethoxy-4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]phthalazin-1-amine
PubChem CID156527263
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name6,7-dimethoxy-4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]phthalazin-1-amine
SMILESCNCc1cccc([C@@H](C)Nc2nnc(C)c3cc(OC)c(OC)cc23)c1C
InChIInChI=1S/C22H28N4O2/c1-13-16(12-23-4)8-7-9-17(13)14(2)24-22-19-11-21(28-6)20(27-5)10-18(19)15(3)25-26-22/h7-11,14,23H,12H2,1-6H3,(H,24,26)/t14-/m1/s1
InChIKeyFFEYEOLBBHNNSW-CQSZACIVSA-N
XLogP4.16
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]phthalazin-1-amine?
The IUPAC name of 6,7-dimethoxy-4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]phthalazin-1-amine (CID 156527263) is 6,7-dimethoxy-4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]phthalazin-1-amine.
What is the SMILES notation for 6,7-dimethoxy-4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]phthalazin-1-amine?
The canonical SMILES for 6,7-dimethoxy-4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]phthalazin-1-amine is CNCc1cccc([C@@H](C)Nc2nnc(C)c3cc(OC)c(OC)cc23)c1C.
What is the InChIKey of 6,7-dimethoxy-4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]phthalazin-1-amine?
The InChIKey is FFEYEOLBBHNNSW-CQSZACIVSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-13-16(12-23-4)8-7-9-17(13)14(2)24-22-19-11-21(28-6)20(27-5)10-18(19)15(3)25-26-22/h7-11,14,23H,12H2,1-6H3,(H,24,26)/t14-/m1/s1.
What are the key properties of 6,7-dimethoxy-4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]phthalazin-1-amine?
6,7-dimethoxy-4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]phthalazin-1-amine has a molecular weight of 380.49 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]phthalazin-1-amine is sourced from PubChem (CID 156527263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).