2-amino-4-ethyl-6-[hydroxy-(4-methylphenyl)methyl]phenol

C16H19NO2 — CID 70555813

IUPAC2-amino-4-ethyl-6-[hydroxy-(4-methylphenyl)methyl]phenol
SMILESCCc1cc(N)c(O)c(C(O)c2ccc(C)cc2)c1
InChIInChI=1S/C16H19NO2/c1-3-11-8-13(16(19)14(17)9-11)15(18)12-6-4-10(2)5-7-12/h4-9,15,18-19H,3,17H2,1-2H3
InChIKeyNYBAKGBGUSQGHN-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.93
Rot. Bonds3

About 2-amino-4-ethyl-6-[hydroxy-(4-methylphenyl)methyl]phenol

2-amino-4-ethyl-6-[hydroxy-(4-methylphenyl)methyl]phenol (PubChem CID 70555813) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-amino-4-ethyl-6-[hydroxy-(4-methylphenyl)methyl]phenol.

Molecular Properties

Compound Name2-amino-4-ethyl-6-[hydroxy-(4-methylphenyl)methyl]phenol
PubChem CID70555813
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-amino-4-ethyl-6-[hydroxy-(4-methylphenyl)methyl]phenol
SMILESCCc1cc(N)c(O)c(C(O)c2ccc(C)cc2)c1
InChIInChI=1S/C16H19NO2/c1-3-11-8-13(16(19)14(17)9-11)15(18)12-6-4-10(2)5-7-12/h4-9,15,18-19H,3,17H2,1-2H3
InChIKeyNYBAKGBGUSQGHN-UHFFFAOYSA-N
XLogP2.93
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-ethyl-6-[hydroxy-(4-methylphenyl)methyl]phenol?
The IUPAC name of 2-amino-4-ethyl-6-[hydroxy-(4-methylphenyl)methyl]phenol (CID 70555813) is 2-amino-4-ethyl-6-[hydroxy-(4-methylphenyl)methyl]phenol.
What is the SMILES notation for 2-amino-4-ethyl-6-[hydroxy-(4-methylphenyl)methyl]phenol?
The canonical SMILES for 2-amino-4-ethyl-6-[hydroxy-(4-methylphenyl)methyl]phenol is CCc1cc(N)c(O)c(C(O)c2ccc(C)cc2)c1.
What is the InChIKey of 2-amino-4-ethyl-6-[hydroxy-(4-methylphenyl)methyl]phenol?
The InChIKey is NYBAKGBGUSQGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-3-11-8-13(16(19)14(17)9-11)15(18)12-6-4-10(2)5-7-12/h4-9,15,18-19H,3,17H2,1-2H3.
What are the key properties of 2-amino-4-ethyl-6-[hydroxy-(4-methylphenyl)methyl]phenol?
2-amino-4-ethyl-6-[hydroxy-(4-methylphenyl)methyl]phenol has a molecular weight of 257.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethyl-6-[hydroxy-(4-methylphenyl)methyl]phenol is sourced from PubChem (CID 70555813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).