1,1,1-trifluoro-3-(4-morpholin-4-ylanilino)propan-2-ol

C13H17F3N2O2 — CID 63899235

IUPAC1,1,1-trifluoro-3-(4-morpholin-4-ylanilino)propan-2-ol
SMILESOC(CNc1ccc(N2CCOCC2)cc1)C(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c14-13(15,16)12(19)9-17-10-1-3-11(4-2-10)18-5-7-20-8-6-18/h1-4,12,17,19H,5-9H2
InChIKeyXGHXZHOBOWTKEN-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.86
Rot. Bonds4

About 1,1,1-trifluoro-3-(4-morpholin-4-ylanilino)propan-2-ol

1,1,1-trifluoro-3-(4-morpholin-4-ylanilino)propan-2-ol (PubChem CID 63899235) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(4-morpholin-4-ylanilino)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(4-morpholin-4-ylanilino)propan-2-ol
PubChem CID63899235
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC Name1,1,1-trifluoro-3-(4-morpholin-4-ylanilino)propan-2-ol
SMILESOC(CNc1ccc(N2CCOCC2)cc1)C(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c14-13(15,16)12(19)9-17-10-1-3-11(4-2-10)18-5-7-20-8-6-18/h1-4,12,17,19H,5-9H2
InChIKeyXGHXZHOBOWTKEN-UHFFFAOYSA-N
XLogP1.86
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethylpropyl)-4-morpholin-4-ylaniline
CID 20785895
N-(3-methylbutyl)-4-morpholin-4-ylaniline
CID 28675688
N'-tert-butyl-N-(4-morpholin-4-ylphenyl)ethane-1,2-diamine
CID 107444694
2,3-dimethyl-1-(4-morpholin-4-ylanilino)butan-2-ol
CID 114493123
2-methyl-3-(4-morpholin-4-ylanilino)propanenitrile
CID 55025369
N-(2,2-diethoxyethyl)-4-morpholin-4-ylaniline
CID 81093843
N-butyl-4-morpholin-4-ylaniline
CID 28675754
N-fluoro-4-morpholin-4-ylaniline
CID 141098997
4-morpholin-4-yl-N-(2-propan-2-yloxyethyl)aniline
CID 55025471
1-(4-fluoroanilino)-3-morpholin-4-ylpropan-2-ol
CID 60896474
5-(4-morpholin-4-ylanilino)pentanenitrile
CID 63172451
2-hydroxy-2-methyl-3-(4-morpholin-4-ylanilino)propanoic acid
CID 104644459

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(4-morpholin-4-ylanilino)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(4-morpholin-4-ylanilino)propan-2-ol (CID 63899235) is 1,1,1-trifluoro-3-(4-morpholin-4-ylanilino)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(4-morpholin-4-ylanilino)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(4-morpholin-4-ylanilino)propan-2-ol is OC(CNc1ccc(N2CCOCC2)cc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(4-morpholin-4-ylanilino)propan-2-ol?
The InChIKey is XGHXZHOBOWTKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c14-13(15,16)12(19)9-17-10-1-3-11(4-2-10)18-5-7-20-8-6-18/h1-4,12,17,19H,5-9H2.
What are the key properties of 1,1,1-trifluoro-3-(4-morpholin-4-ylanilino)propan-2-ol?
1,1,1-trifluoro-3-(4-morpholin-4-ylanilino)propan-2-ol has a molecular weight of 290.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(4-morpholin-4-ylanilino)propan-2-ol is sourced from PubChem (CID 63899235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).