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

C14H14F3N3O — CID 28818120

IUPAC4-[2-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]ethyl]phenol
SMILESNc1ncc(C(F)(F)F)cc1NCCc1ccc(O)cc1
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)10-7-12(13(18)20-8-10)19-6-5-9-1-3-11(21)4-2-9/h1-4,7-8,19,21H,5-6H2,(H2,18,20)
InChIKeyCFJHGWQUVMEAQL-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.04
Rot. Bonds4

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

4-[2-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]ethyl]phenol (PubChem CID 28818120) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 4-[2-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]ethyl]phenol
PubChem CID28818120
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name4-[2-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]ethyl]phenol
SMILESNc1ncc(C(F)(F)F)cc1NCCc1ccc(O)cc1
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)10-7-12(13(18)20-8-10)19-6-5-9-1-3-11(21)4-2-9/h1-4,7-8,19,21H,5-6H2,(H2,18,20)
InChIKeyCFJHGWQUVMEAQL-UHFFFAOYSA-N
XLogP3.04
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]ethyl]phenol (CID 28818120) is 4-[2-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]ethyl]phenol is Nc1ncc(C(F)(F)F)cc1NCCc1ccc(O)cc1.
What is the InChIKey of 4-[2-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]ethyl]phenol?
The InChIKey is CFJHGWQUVMEAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c15-14(16,17)10-7-12(13(18)20-8-10)19-6-5-9-1-3-11(21)4-2-9/h1-4,7-8,19,21H,5-6H2,(H2,18,20).
What are the key properties of 4-[2-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]ethyl]phenol?
4-[2-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]ethyl]phenol has a molecular weight of 297.28 g/mol, XLogP of 3.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]ethyl]phenol is sourced from PubChem (CID 28818120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).