2-amino-4-[[3-amino-4-hydroxy-2-methyl-5-(2-methylpropyl)phenyl]methyl]-3-methyl-6-(2-methylpropyl)phenol

C23H34N2O2 — CID 59194624

IUPAC2-amino-4-[[3-amino-4-hydroxy-2-methyl-5-(2-methylpropyl)phenyl]methyl]-3-methyl-6-(2-methylpropyl)phenol
SMILESCc1c(Cc2cc(CC(C)C)c(O)c(N)c2C)cc(CC(C)C)c(O)c1N
InChIInChI=1S/C23H34N2O2/c1-12(2)7-18-10-16(14(5)20(24)22(18)26)9-17-11-19(8-13(3)4)23(27)21(25)15(17)6/h10-13,26-27H,7-9,24-25H2,1-6H3
InChIKeyYZHSBEYGURGRPS-UHFFFAOYSA-N
MW370.54 g/mol
LogP4.87
Rot. Bonds6

About 2-amino-4-[[3-amino-4-hydroxy-2-methyl-5-(2-methylpropyl)phenyl]methyl]-3-methyl-6-(2-methylpropyl)phenol

2-amino-4-[[3-amino-4-hydroxy-2-methyl-5-(2-methylpropyl)phenyl]methyl]-3-methyl-6-(2-methylpropyl)phenol (PubChem CID 59194624) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 2-amino-4-[[3-amino-4-hydroxy-2-methyl-5-(2-methylpropyl)phenyl]methyl]-3-methyl-6-(2-methylpropyl)phenol.

Molecular Properties

Compound Name2-amino-4-[[3-amino-4-hydroxy-2-methyl-5-(2-methylpropyl)phenyl]methyl]-3-methyl-6-(2-methylpropyl)phenol
PubChem CID59194624
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name2-amino-4-[[3-amino-4-hydroxy-2-methyl-5-(2-methylpropyl)phenyl]methyl]-3-methyl-6-(2-methylpropyl)phenol
SMILESCc1c(Cc2cc(CC(C)C)c(O)c(N)c2C)cc(CC(C)C)c(O)c1N
InChIInChI=1S/C23H34N2O2/c1-12(2)7-18-10-16(14(5)20(24)22(18)26)9-17-11-19(8-13(3)4)23(27)21(25)15(17)6/h10-13,26-27H,7-9,24-25H2,1-6H3
InChIKeyYZHSBEYGURGRPS-UHFFFAOYSA-N
XLogP4.87
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 54.87
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-[[3-amino-4-hydroxy-2-methyl-5-(2-methylpropyl)phenyl]methyl]-3-methyl-6-(2-methylpropyl)phenol?
The IUPAC name of 2-amino-4-[[3-amino-4-hydroxy-2-methyl-5-(2-methylpropyl)phenyl]methyl]-3-methyl-6-(2-methylpropyl)phenol (CID 59194624) is 2-amino-4-[[3-amino-4-hydroxy-2-methyl-5-(2-methylpropyl)phenyl]methyl]-3-methyl-6-(2-methylpropyl)phenol.
What is the SMILES notation for 2-amino-4-[[3-amino-4-hydroxy-2-methyl-5-(2-methylpropyl)phenyl]methyl]-3-methyl-6-(2-methylpropyl)phenol?
The canonical SMILES for 2-amino-4-[[3-amino-4-hydroxy-2-methyl-5-(2-methylpropyl)phenyl]methyl]-3-methyl-6-(2-methylpropyl)phenol is Cc1c(Cc2cc(CC(C)C)c(O)c(N)c2C)cc(CC(C)C)c(O)c1N.
What is the InChIKey of 2-amino-4-[[3-amino-4-hydroxy-2-methyl-5-(2-methylpropyl)phenyl]methyl]-3-methyl-6-(2-methylpropyl)phenol?
The InChIKey is YZHSBEYGURGRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-12(2)7-18-10-16(14(5)20(24)22(18)26)9-17-11-19(8-13(3)4)23(27)21(25)15(17)6/h10-13,26-27H,7-9,24-25H2,1-6H3.
What are the key properties of 2-amino-4-[[3-amino-4-hydroxy-2-methyl-5-(2-methylpropyl)phenyl]methyl]-3-methyl-6-(2-methylpropyl)phenol?
2-amino-4-[[3-amino-4-hydroxy-2-methyl-5-(2-methylpropyl)phenyl]methyl]-3-methyl-6-(2-methylpropyl)phenol has a molecular weight of 370.54 g/mol, XLogP of 4.87, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[[3-amino-4-hydroxy-2-methyl-5-(2-methylpropyl)phenyl]methyl]-3-methyl-6-(2-methylpropyl)phenol is sourced from PubChem (CID 59194624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).