4-[2-amino-4-ethyl-5-(4-methylphenyl)-3-pyridinyl]phenol

C20H20N2O — CID 122531787

IUPAC4-[2-amino-4-ethyl-5-(4-methylphenyl)-3-pyridinyl]phenol
SMILESCCc1c(-c2ccc(C)cc2)cnc(N)c1-c1ccc(O)cc1
InChIInChI=1S/C20H20N2O/c1-3-17-18(14-6-4-13(2)5-7-14)12-22-20(21)19(17)15-8-10-16(23)11-9-15/h4-12,23H,3H2,1-2H3,(H2,21,22)
InChIKeyFTBXLLZIXZMDRD-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.57
Rot. Bonds3

About 4-[2-amino-4-ethyl-5-(4-methylphenyl)-3-pyridinyl]phenol

4-[2-amino-4-ethyl-5-(4-methylphenyl)-3-pyridinyl]phenol (PubChem CID 122531787) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-[2-amino-4-ethyl-5-(4-methylphenyl)-3-pyridinyl]phenol.

Molecular Properties

Compound Name4-[2-amino-4-ethyl-5-(4-methylphenyl)-3-pyridinyl]phenol
PubChem CID122531787
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name4-[2-amino-4-ethyl-5-(4-methylphenyl)-3-pyridinyl]phenol
SMILESCCc1c(-c2ccc(C)cc2)cnc(N)c1-c1ccc(O)cc1
InChIInChI=1S/C20H20N2O/c1-3-17-18(14-6-4-13(2)5-7-14)12-22-20(21)19(17)15-8-10-16(23)11-9-15/h4-12,23H,3H2,1-2H3,(H2,21,22)
InChIKeyFTBXLLZIXZMDRD-UHFFFAOYSA-N
XLogP4.57
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-4-ethyl-5-(4-methylphenyl)-3-pyridinyl]phenol?
The IUPAC name of 4-[2-amino-4-ethyl-5-(4-methylphenyl)-3-pyridinyl]phenol (CID 122531787) is 4-[2-amino-4-ethyl-5-(4-methylphenyl)-3-pyridinyl]phenol.
What is the SMILES notation for 4-[2-amino-4-ethyl-5-(4-methylphenyl)-3-pyridinyl]phenol?
The canonical SMILES for 4-[2-amino-4-ethyl-5-(4-methylphenyl)-3-pyridinyl]phenol is CCc1c(-c2ccc(C)cc2)cnc(N)c1-c1ccc(O)cc1.
What is the InChIKey of 4-[2-amino-4-ethyl-5-(4-methylphenyl)-3-pyridinyl]phenol?
The InChIKey is FTBXLLZIXZMDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-3-17-18(14-6-4-13(2)5-7-14)12-22-20(21)19(17)15-8-10-16(23)11-9-15/h4-12,23H,3H2,1-2H3,(H2,21,22).
What are the key properties of 4-[2-amino-4-ethyl-5-(4-methylphenyl)-3-pyridinyl]phenol?
4-[2-amino-4-ethyl-5-(4-methylphenyl)-3-pyridinyl]phenol has a molecular weight of 304.39 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-4-ethyl-5-(4-methylphenyl)-3-pyridinyl]phenol is sourced from PubChem (CID 122531787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).