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

C18H17ClN4O — CID 74221497

IUPAC[4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]methanol
SMILESCCc1nc(Nc2ccc(CO)cc2)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C18H17ClN4O/c1-2-16-21-17(13-4-3-5-14(19)10-13)23-18(22-16)20-15-8-6-12(11-24)7-9-15/h3-10,24H,2,11H2,1H3,(H,20,21,22,23)
InChIKeyWBFIKIWRZNWWTE-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.99
Rot. Bonds5

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

[4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]methanol (PubChem CID 74221497) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is [4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]methanol.

Molecular Properties

Compound Name[4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]methanol
PubChem CID74221497
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name[4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]methanol
SMILESCCc1nc(Nc2ccc(CO)cc2)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C18H17ClN4O/c1-2-16-21-17(13-4-3-5-14(19)10-13)23-18(22-16)20-15-8-6-12(11-24)7-9-15/h3-10,24H,2,11H2,1H3,(H,20,21,22,23)
InChIKeyWBFIKIWRZNWWTE-UHFFFAOYSA-N
XLogP3.99
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]methanol?
The IUPAC name of [4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]methanol (CID 74221497) is [4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]methanol.
What is the SMILES notation for [4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]methanol?
The canonical SMILES for [4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]methanol is CCc1nc(Nc2ccc(CO)cc2)nc(-c2cccc(Cl)c2)n1.
What is the InChIKey of [4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]methanol?
The InChIKey is WBFIKIWRZNWWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-2-16-21-17(13-4-3-5-14(19)10-13)23-18(22-16)20-15-8-6-12(11-24)7-9-15/h3-10,24H,2,11H2,1H3,(H,20,21,22,23).
What are the key properties of [4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]methanol?
[4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]methanol has a molecular weight of 340.81 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]methanol is sourced from PubChem (CID 74221497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).