2-[[4-phenoxy-6-[[3-(trifluoromethyl)phenyl]methylamino]-1,3,5-triazin-2-yl]amino]ethanol

C19H18F3N5O2 — CID 23845005

IUPAC2-[[4-phenoxy-6-[[3-(trifluoromethyl)phenyl]methylamino]-1,3,5-triazin-2-yl]amino]ethanol
SMILESOCCNc1nc(NCc2cccc(C(F)(F)F)c2)nc(Oc2ccccc2)n1
InChIInChI=1S/C19H18F3N5O2/c20-19(21,22)14-6-4-5-13(11-14)12-24-17-25-16(23-9-10-28)26-18(27-17)29-15-7-2-1-3-8-15/h1-8,11,28H,9-10,12H2,(H2,23,24,25,26,27)
InChIKeyNCFSSVPZNXPEJJ-UHFFFAOYSA-N
MW405.38 g/mol
LogP3.70
Rot. Bonds8

About 2-[[4-phenoxy-6-[[3-(trifluoromethyl)phenyl]methylamino]-1,3,5-triazin-2-yl]amino]ethanol

2-[[4-phenoxy-6-[[3-(trifluoromethyl)phenyl]methylamino]-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 23845005) has the molecular formula C19H18F3N5O2 and a molecular weight of 405.38 g/mol. Its IUPAC name is 2-[[4-phenoxy-6-[[3-(trifluoromethyl)phenyl]methylamino]-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-phenoxy-6-[[3-(trifluoromethyl)phenyl]methylamino]-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID23845005
Molecular FormulaC19H18F3N5O2
Molecular Weight405.38 g/mol
Exact Mass405.14
IUPAC Name2-[[4-phenoxy-6-[[3-(trifluoromethyl)phenyl]methylamino]-1,3,5-triazin-2-yl]amino]ethanol
SMILESOCCNc1nc(NCc2cccc(C(F)(F)F)c2)nc(Oc2ccccc2)n1
InChIInChI=1S/C19H18F3N5O2/c20-19(21,22)14-6-4-5-13(11-14)12-24-17-25-16(23-9-10-28)26-18(27-17)29-15-7-2-1-3-8-15/h1-8,11,28H,9-10,12H2,(H2,23,24,25,26,27)
InChIKeyNCFSSVPZNXPEJJ-UHFFFAOYSA-N
XLogP3.70
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[4-phenoxy-6-[[3-(trifluoromethyl)phenyl]methylamino]-1,3,5-triazin-2-yl]amino]ethanol with MolForge

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Related Compounds

6-[[4-(butylamino)-6-[[3-(trifluoromethyl)phenyl]methylamino]-1,3,5-triazin-2-yl]amino]hexan-1-ol
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4-N-benzyl-6-piperidin-1-yl-2-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine
CID 23984522
6-N-[(4-fluorophenyl)methyl]-2-N-[3-(trifluoromethyl)phenyl]-4-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine
CID 58040119
1-(2-hydroxyethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]thiourea
CID 12622964
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CID 141060077
2-[[2-[3-(trifluoromethyl)anilino]quinazolin-4-yl]amino]ethanol
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5-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 63871875
2-N,4-N,6-N-tris[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine
CID 162538922
1-phenyl-N-[3-(trifluoromethyl)phenoxy]methanamine
CID 91170353
6-N-(2-phenylethyl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine
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Frequently Asked Questions

What is the IUPAC name of 2-[[4-phenoxy-6-[[3-(trifluoromethyl)phenyl]methylamino]-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-phenoxy-6-[[3-(trifluoromethyl)phenyl]methylamino]-1,3,5-triazin-2-yl]amino]ethanol (CID 23845005) is 2-[[4-phenoxy-6-[[3-(trifluoromethyl)phenyl]methylamino]-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-phenoxy-6-[[3-(trifluoromethyl)phenyl]methylamino]-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-phenoxy-6-[[3-(trifluoromethyl)phenyl]methylamino]-1,3,5-triazin-2-yl]amino]ethanol is OCCNc1nc(NCc2cccc(C(F)(F)F)c2)nc(Oc2ccccc2)n1.
What is the InChIKey of 2-[[4-phenoxy-6-[[3-(trifluoromethyl)phenyl]methylamino]-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is NCFSSVPZNXPEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O2/c20-19(21,22)14-6-4-5-13(11-14)12-24-17-25-16(23-9-10-28)26-18(27-17)29-15-7-2-1-3-8-15/h1-8,11,28H,9-10,12H2,(H2,23,24,25,26,27).
What are the key properties of 2-[[4-phenoxy-6-[[3-(trifluoromethyl)phenyl]methylamino]-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-phenoxy-6-[[3-(trifluoromethyl)phenyl]methylamino]-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 405.38 g/mol, XLogP of 3.70, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-phenoxy-6-[[3-(trifluoromethyl)phenyl]methylamino]-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 23845005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).