4-[2-[(4-methoxy-6-phenyl-1,3,5-triazin-2-yl)amino]ethyl]phenol

C18H18N4O2 — CID 117093022

IUPAC4-[2-[(4-methoxy-6-phenyl-1,3,5-triazin-2-yl)amino]ethyl]phenol
SMILESCOc1nc(NCCc2ccc(O)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H18N4O2/c1-24-18-21-16(14-5-3-2-4-6-14)20-17(22-18)19-12-11-13-7-9-15(23)10-8-13/h2-10,23H,11-12H2,1H3,(H,19,20,21,22)
InChIKeyJFZNGBYVRRTIHJ-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.91
Rot. Bonds6

About 4-[2-[(4-methoxy-6-phenyl-1,3,5-triazin-2-yl)amino]ethyl]phenol

4-[2-[(4-methoxy-6-phenyl-1,3,5-triazin-2-yl)amino]ethyl]phenol (PubChem CID 117093022) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-[2-[(4-methoxy-6-phenyl-1,3,5-triazin-2-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(4-methoxy-6-phenyl-1,3,5-triazin-2-yl)amino]ethyl]phenol
PubChem CID117093022
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name4-[2-[(4-methoxy-6-phenyl-1,3,5-triazin-2-yl)amino]ethyl]phenol
SMILESCOc1nc(NCCc2ccc(O)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H18N4O2/c1-24-18-21-16(14-5-3-2-4-6-14)20-17(22-18)19-12-11-13-7-9-15(23)10-8-13/h2-10,23H,11-12H2,1H3,(H,19,20,21,22)
InChIKeyJFZNGBYVRRTIHJ-UHFFFAOYSA-N
XLogP2.91
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-methoxy-6-phenyl-1,3,5-triazin-2-yl)amino]ethyl]phenol?
The IUPAC name of 4-[2-[(4-methoxy-6-phenyl-1,3,5-triazin-2-yl)amino]ethyl]phenol (CID 117093022) is 4-[2-[(4-methoxy-6-phenyl-1,3,5-triazin-2-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[(4-methoxy-6-phenyl-1,3,5-triazin-2-yl)amino]ethyl]phenol?
The canonical SMILES for 4-[2-[(4-methoxy-6-phenyl-1,3,5-triazin-2-yl)amino]ethyl]phenol is COc1nc(NCCc2ccc(O)cc2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-[2-[(4-methoxy-6-phenyl-1,3,5-triazin-2-yl)amino]ethyl]phenol?
The InChIKey is JFZNGBYVRRTIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-24-18-21-16(14-5-3-2-4-6-14)20-17(22-18)19-12-11-13-7-9-15(23)10-8-13/h2-10,23H,11-12H2,1H3,(H,19,20,21,22).
What are the key properties of 4-[2-[(4-methoxy-6-phenyl-1,3,5-triazin-2-yl)amino]ethyl]phenol?
4-[2-[(4-methoxy-6-phenyl-1,3,5-triazin-2-yl)amino]ethyl]phenol has a molecular weight of 322.37 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-methoxy-6-phenyl-1,3,5-triazin-2-yl)amino]ethyl]phenol is sourced from PubChem (CID 117093022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).