2-amino-4-[(3-amino-5-ethyl-4-hydroxy-2-methylphenyl)methyl]-6-ethyl-3-methylphenol

C19H26N2O2 — CID 59194641

IUPAC2-amino-4-[(3-amino-5-ethyl-4-hydroxy-2-methylphenyl)methyl]-6-ethyl-3-methylphenol
SMILESCCc1cc(Cc2cc(CC)c(O)c(N)c2C)c(C)c(N)c1O
InChIInChI=1S/C19H26N2O2/c1-5-12-7-14(10(3)16(20)18(12)22)9-15-8-13(6-2)19(23)17(21)11(15)4/h7-8,22-23H,5-6,9,20-21H2,1-4H3
InChIKeyLSLGMXAVNOYOBK-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.59
Rot. Bonds4

About 2-amino-4-[(3-amino-5-ethyl-4-hydroxy-2-methylphenyl)methyl]-6-ethyl-3-methylphenol

2-amino-4-[(3-amino-5-ethyl-4-hydroxy-2-methylphenyl)methyl]-6-ethyl-3-methylphenol (PubChem CID 59194641) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-amino-4-[(3-amino-5-ethyl-4-hydroxy-2-methylphenyl)methyl]-6-ethyl-3-methylphenol.

Molecular Properties

Compound Name2-amino-4-[(3-amino-5-ethyl-4-hydroxy-2-methylphenyl)methyl]-6-ethyl-3-methylphenol
PubChem CID59194641
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name2-amino-4-[(3-amino-5-ethyl-4-hydroxy-2-methylphenyl)methyl]-6-ethyl-3-methylphenol
SMILESCCc1cc(Cc2cc(CC)c(O)c(N)c2C)c(C)c(N)c1O
InChIInChI=1S/C19H26N2O2/c1-5-12-7-14(10(3)16(20)18(12)22)9-15-8-13(6-2)19(23)17(21)11(15)4/h7-8,22-23H,5-6,9,20-21H2,1-4H3
InChIKeyLSLGMXAVNOYOBK-UHFFFAOYSA-N
XLogP3.59
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.59
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-5-ethyl-4-hydroxy-2-methylphenyl)methyl]-6-ethyl-3-methylphenol?
The IUPAC name of 2-amino-4-[(3-amino-5-ethyl-4-hydroxy-2-methylphenyl)methyl]-6-ethyl-3-methylphenol (CID 59194641) is 2-amino-4-[(3-amino-5-ethyl-4-hydroxy-2-methylphenyl)methyl]-6-ethyl-3-methylphenol.
What is the SMILES notation for 2-amino-4-[(3-amino-5-ethyl-4-hydroxy-2-methylphenyl)methyl]-6-ethyl-3-methylphenol?
The canonical SMILES for 2-amino-4-[(3-amino-5-ethyl-4-hydroxy-2-methylphenyl)methyl]-6-ethyl-3-methylphenol is CCc1cc(Cc2cc(CC)c(O)c(N)c2C)c(C)c(N)c1O.
What is the InChIKey of 2-amino-4-[(3-amino-5-ethyl-4-hydroxy-2-methylphenyl)methyl]-6-ethyl-3-methylphenol?
The InChIKey is LSLGMXAVNOYOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-5-12-7-14(10(3)16(20)18(12)22)9-15-8-13(6-2)19(23)17(21)11(15)4/h7-8,22-23H,5-6,9,20-21H2,1-4H3.
What are the key properties of 2-amino-4-[(3-amino-5-ethyl-4-hydroxy-2-methylphenyl)methyl]-6-ethyl-3-methylphenol?
2-amino-4-[(3-amino-5-ethyl-4-hydroxy-2-methylphenyl)methyl]-6-ethyl-3-methylphenol has a molecular weight of 314.43 g/mol, XLogP of 3.59, 4 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-5-ethyl-4-hydroxy-2-methylphenyl)methyl]-6-ethyl-3-methylphenol is sourced from PubChem (CID 59194641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).