1-morpholin-4-yl-3-(2,3,4-trifluoroanilino)propan-2-ol

C13H17F3N2O2 — CID 60896358

IUPAC1-morpholin-4-yl-3-(2,3,4-trifluoroanilino)propan-2-ol
SMILESOC(CNc1ccc(F)c(F)c1F)CN1CCOCC1
InChIInChI=1S/C13H17F3N2O2/c14-10-1-2-11(13(16)12(10)15)17-7-9(19)8-18-3-5-20-6-4-18/h1-2,9,17,19H,3-8H2
InChIKeyVDKYEVJQQYDAHM-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.21
Rot. Bonds5

About 1-morpholin-4-yl-3-(2,3,4-trifluoroanilino)propan-2-ol

1-morpholin-4-yl-3-(2,3,4-trifluoroanilino)propan-2-ol (PubChem CID 60896358) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-(2,3,4-trifluoroanilino)propan-2-ol.

Molecular Properties

Compound Name1-morpholin-4-yl-3-(2,3,4-trifluoroanilino)propan-2-ol
PubChem CID60896358
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC Name1-morpholin-4-yl-3-(2,3,4-trifluoroanilino)propan-2-ol
SMILESOC(CNc1ccc(F)c(F)c1F)CN1CCOCC1
InChIInChI=1S/C13H17F3N2O2/c14-10-1-2-11(13(16)12(10)15)17-7-9(19)8-18-3-5-20-6-4-18/h1-2,9,17,19H,3-8H2
InChIKeyVDKYEVJQQYDAHM-UHFFFAOYSA-N
XLogP1.21
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(4-chloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 92856830
1-(4-fluoroanilino)-3-morpholin-4-ylpropan-2-ol
CID 60896474
1-(2-chloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 60898557
1-morpholin-4-yl-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 60898999
1-[(2,5-difluorophenyl)methylamino]-3-morpholin-4-ylpropan-2-ol
CID 63032651
1-(2,6-dichloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 65468625
1-morpholin-4-yl-2-(2,3,4-trifluoroanilino)ethanone
CID 28574443
1-morpholin-4-yl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-ol
CID 60897292
4-bromo-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]benzonitrile
CID 107797947
(2S)-1-[(7-fluoroquinolin-2-yl)amino]-3-morpholin-4-ylpropan-2-ol
CID 97236554
1-pyrrolidin-1-yl-3-(2,3,5,6-tetrafluoroanilino)propan-2-ol
CID 107644260
1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(2,3,4-trifluorophenyl)urea
CID 111111295

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-(2,3,4-trifluoroanilino)propan-2-ol?
The IUPAC name of 1-morpholin-4-yl-3-(2,3,4-trifluoroanilino)propan-2-ol (CID 60896358) is 1-morpholin-4-yl-3-(2,3,4-trifluoroanilino)propan-2-ol.
What is the SMILES notation for 1-morpholin-4-yl-3-(2,3,4-trifluoroanilino)propan-2-ol?
The canonical SMILES for 1-morpholin-4-yl-3-(2,3,4-trifluoroanilino)propan-2-ol is OC(CNc1ccc(F)c(F)c1F)CN1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-(2,3,4-trifluoroanilino)propan-2-ol?
The InChIKey is VDKYEVJQQYDAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c14-10-1-2-11(13(16)12(10)15)17-7-9(19)8-18-3-5-20-6-4-18/h1-2,9,17,19H,3-8H2.
What are the key properties of 1-morpholin-4-yl-3-(2,3,4-trifluoroanilino)propan-2-ol?
1-morpholin-4-yl-3-(2,3,4-trifluoroanilino)propan-2-ol has a molecular weight of 290.28 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-(2,3,4-trifluoroanilino)propan-2-ol is sourced from PubChem (CID 60896358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).