6-[4-[2,2-dimethyl-3-[4-(pyridin-2-ylmethoxy)phenyl]propyl]phenyl]pyridazin-3-amine

C27H28N4O — CID 68718460

IUPAC6-[4-[2,2-dimethyl-3-[4-(pyridin-2-ylmethoxy)phenyl]propyl]phenyl]pyridazin-3-amine
SMILESCC(C)(Cc1ccc(OCc2ccccn2)cc1)Cc1ccc(-c2ccc(N)nn2)cc1
InChIInChI=1S/C27H28N4O/c1-27(2,17-20-6-10-22(11-7-20)25-14-15-26(28)31-30-25)18-21-8-12-24(13-9-21)32-19-23-5-3-4-16-29-23/h3-16H,17-19H2,1-2H3,(H2,28,31)
InChIKeySXQWDRIOQQIHGZ-UHFFFAOYSA-N
MW424.55 g/mol
LogP5.51
Rot. Bonds8

About 6-[4-[2,2-dimethyl-3-[4-(pyridin-2-ylmethoxy)phenyl]propyl]phenyl]pyridazin-3-amine

6-[4-[2,2-dimethyl-3-[4-(pyridin-2-ylmethoxy)phenyl]propyl]phenyl]pyridazin-3-amine (PubChem CID 68718460) has the molecular formula C27H28N4O and a molecular weight of 424.55 g/mol. Its IUPAC name is 6-[4-[2,2-dimethyl-3-[4-(pyridin-2-ylmethoxy)phenyl]propyl]phenyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-[4-[2,2-dimethyl-3-[4-(pyridin-2-ylmethoxy)phenyl]propyl]phenyl]pyridazin-3-amine
PubChem CID68718460
Molecular FormulaC27H28N4O
Molecular Weight424.55 g/mol
Exact Mass424.23
IUPAC Name6-[4-[2,2-dimethyl-3-[4-(pyridin-2-ylmethoxy)phenyl]propyl]phenyl]pyridazin-3-amine
SMILESCC(C)(Cc1ccc(OCc2ccccn2)cc1)Cc1ccc(-c2ccc(N)nn2)cc1
InChIInChI=1S/C27H28N4O/c1-27(2,17-20-6-10-22(11-7-20)25-14-15-26(28)31-30-25)18-21-8-12-24(13-9-21)32-19-23-5-3-4-16-29-23/h3-16H,17-19H2,1-2H3,(H2,28,31)
InChIKeySXQWDRIOQQIHGZ-UHFFFAOYSA-N
XLogP5.51
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[4-[2,2-dimethyl-3-[4-(pyridin-2-ylmethoxy)phenyl]propyl]phenyl]pyridazin-3-amine with MolForge

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Related Compounds

3-chloro-6-[4-[3-methyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]phenyl]pyridazine
CID 59416741
5-[4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]phenyl]-1,3,4-thiadiazol-2-amine
CID 59416740
1-tert-butyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine
CID 111047656
3-methoxy-6-[4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]phenyl]pyridazine
CID 66864843
2-methyl-2-methylsulfanyl-4-[4-(pyridin-2-ylmethoxy)phenyl]butanamide
CID 123858091
5-[4-[3,3-dimethyl-2-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-yl]phenyl]-1,3,4-oxadiazol-2-amine
CID 11711628
(1R)-1-[4-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 30121102
6-[4-(2-methoxyethoxy)phenyl]pyridazin-3-amine
CID 96662586
3-[4-(pyridin-2-ylmethoxy)phenyl]propan-1-amine
CID 117095285
N'-hydroxy-2-[4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide
CID 24703645
4-(pyridin-2-ylmethoxy)benzenecarbothioamide
CID 24690240
2-methyl-3-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]propan-1-ol
CID 111463900

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2,2-dimethyl-3-[4-(pyridin-2-ylmethoxy)phenyl]propyl]phenyl]pyridazin-3-amine?
The IUPAC name of 6-[4-[2,2-dimethyl-3-[4-(pyridin-2-ylmethoxy)phenyl]propyl]phenyl]pyridazin-3-amine (CID 68718460) is 6-[4-[2,2-dimethyl-3-[4-(pyridin-2-ylmethoxy)phenyl]propyl]phenyl]pyridazin-3-amine.
What is the SMILES notation for 6-[4-[2,2-dimethyl-3-[4-(pyridin-2-ylmethoxy)phenyl]propyl]phenyl]pyridazin-3-amine?
The canonical SMILES for 6-[4-[2,2-dimethyl-3-[4-(pyridin-2-ylmethoxy)phenyl]propyl]phenyl]pyridazin-3-amine is CC(C)(Cc1ccc(OCc2ccccn2)cc1)Cc1ccc(-c2ccc(N)nn2)cc1.
What is the InChIKey of 6-[4-[2,2-dimethyl-3-[4-(pyridin-2-ylmethoxy)phenyl]propyl]phenyl]pyridazin-3-amine?
The InChIKey is SXQWDRIOQQIHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O/c1-27(2,17-20-6-10-22(11-7-20)25-14-15-26(28)31-30-25)18-21-8-12-24(13-9-21)32-19-23-5-3-4-16-29-23/h3-16H,17-19H2,1-2H3,(H2,28,31).
What are the key properties of 6-[4-[2,2-dimethyl-3-[4-(pyridin-2-ylmethoxy)phenyl]propyl]phenyl]pyridazin-3-amine?
6-[4-[2,2-dimethyl-3-[4-(pyridin-2-ylmethoxy)phenyl]propyl]phenyl]pyridazin-3-amine has a molecular weight of 424.55 g/mol, XLogP of 5.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2,2-dimethyl-3-[4-(pyridin-2-ylmethoxy)phenyl]propyl]phenyl]pyridazin-3-amine is sourced from PubChem (CID 68718460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).