2-amino-4-[2-(3-amino-4-hydroxy-2,5-dimethylphenyl)hexan-2-yl]-3,6-dimethylphenol

C22H32N2O2 — CID 59194636

IUPAC2-amino-4-[2-(3-amino-4-hydroxy-2,5-dimethylphenyl)hexan-2-yl]-3,6-dimethylphenol
SMILESCCCCC(C)(c1cc(C)c(O)c(N)c1C)c1cc(C)c(O)c(N)c1C
InChIInChI=1S/C22H32N2O2/c1-7-8-9-22(6,16-10-12(2)20(25)18(23)14(16)4)17-11-13(3)21(26)19(24)15(17)5/h10-11,25-26H,7-9,23-24H2,1-6H3
InChIKeyCGGIMOIBPYWSAD-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.99
Rot. Bonds5

About 2-amino-4-[2-(3-amino-4-hydroxy-2,5-dimethylphenyl)hexan-2-yl]-3,6-dimethylphenol

2-amino-4-[2-(3-amino-4-hydroxy-2,5-dimethylphenyl)hexan-2-yl]-3,6-dimethylphenol (PubChem CID 59194636) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-amino-4-[2-(3-amino-4-hydroxy-2,5-dimethylphenyl)hexan-2-yl]-3,6-dimethylphenol.

Molecular Properties

Compound Name2-amino-4-[2-(3-amino-4-hydroxy-2,5-dimethylphenyl)hexan-2-yl]-3,6-dimethylphenol
PubChem CID59194636
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name2-amino-4-[2-(3-amino-4-hydroxy-2,5-dimethylphenyl)hexan-2-yl]-3,6-dimethylphenol
SMILESCCCCC(C)(c1cc(C)c(O)c(N)c1C)c1cc(C)c(O)c(N)c1C
InChIInChI=1S/C22H32N2O2/c1-7-8-9-22(6,16-10-12(2)20(25)18(23)14(16)4)17-11-13(3)21(26)19(24)15(17)5/h10-11,25-26H,7-9,23-24H2,1-6H3
InChIKeyCGGIMOIBPYWSAD-UHFFFAOYSA-N
XLogP4.99
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-(3-amino-4-hydroxy-2,5-dimethylphenyl)hexan-2-yl]-3,6-dimethylphenol?
The IUPAC name of 2-amino-4-[2-(3-amino-4-hydroxy-2,5-dimethylphenyl)hexan-2-yl]-3,6-dimethylphenol (CID 59194636) is 2-amino-4-[2-(3-amino-4-hydroxy-2,5-dimethylphenyl)hexan-2-yl]-3,6-dimethylphenol.
What is the SMILES notation for 2-amino-4-[2-(3-amino-4-hydroxy-2,5-dimethylphenyl)hexan-2-yl]-3,6-dimethylphenol?
The canonical SMILES for 2-amino-4-[2-(3-amino-4-hydroxy-2,5-dimethylphenyl)hexan-2-yl]-3,6-dimethylphenol is CCCCC(C)(c1cc(C)c(O)c(N)c1C)c1cc(C)c(O)c(N)c1C.
What is the InChIKey of 2-amino-4-[2-(3-amino-4-hydroxy-2,5-dimethylphenyl)hexan-2-yl]-3,6-dimethylphenol?
The InChIKey is CGGIMOIBPYWSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-7-8-9-22(6,16-10-12(2)20(25)18(23)14(16)4)17-11-13(3)21(26)19(24)15(17)5/h10-11,25-26H,7-9,23-24H2,1-6H3.
What are the key properties of 2-amino-4-[2-(3-amino-4-hydroxy-2,5-dimethylphenyl)hexan-2-yl]-3,6-dimethylphenol?
2-amino-4-[2-(3-amino-4-hydroxy-2,5-dimethylphenyl)hexan-2-yl]-3,6-dimethylphenol has a molecular weight of 356.51 g/mol, XLogP of 4.99, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-(3-amino-4-hydroxy-2,5-dimethylphenyl)hexan-2-yl]-3,6-dimethylphenol is sourced from PubChem (CID 59194636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).