1-morpholin-4-yl-3-[2-(trifluoromethyl)anilino]propan-2-ol

C14H19F3N2O2 — CID 60898999

IUPAC1-morpholin-4-yl-3-[2-(trifluoromethyl)anilino]propan-2-ol
SMILESOC(CNc1ccccc1C(F)(F)F)CN1CCOCC1
InChIInChI=1S/C14H19F3N2O2/c15-14(16,17)12-3-1-2-4-13(12)18-9-11(20)10-19-5-7-21-8-6-19/h1-4,11,18,20H,5-10H2
InChIKeyKHBSQAXYFJIFRF-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.81
Rot. Bonds5

About 1-morpholin-4-yl-3-[2-(trifluoromethyl)anilino]propan-2-ol

1-morpholin-4-yl-3-[2-(trifluoromethyl)anilino]propan-2-ol (PubChem CID 60898999) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-[2-(trifluoromethyl)anilino]propan-2-ol.

Molecular Properties

Compound Name1-morpholin-4-yl-3-[2-(trifluoromethyl)anilino]propan-2-ol
PubChem CID60898999
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name1-morpholin-4-yl-3-[2-(trifluoromethyl)anilino]propan-2-ol
SMILESOC(CNc1ccccc1C(F)(F)F)CN1CCOCC1
InChIInChI=1S/C14H19F3N2O2/c15-14(16,17)12-3-1-2-4-13(12)18-9-11(20)10-19-5-7-21-8-6-19/h1-4,11,18,20H,5-10H2
InChIKeyKHBSQAXYFJIFRF-UHFFFAOYSA-N
XLogP1.81
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 60898557
1-morpholin-4-yl-3-(2,3,4-trifluoroanilino)propan-2-ol
CID 60896358
1-[2-(trifluoromethyl)anilino]butan-2-ol
CID 60887085
1-morpholin-4-yl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-ol
CID 60897292
1-(2,6-dichloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 65468625
1-(4-fluoroanilino)-3-morpholin-4-ylpropan-2-ol
CID 60896474
1-(2-ethylanilino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60901656
N-(2-morpholin-4-ylethyl)-3-[2-(trifluoromethyl)anilino]propanamide
CID 109016632
(2S)-1-(4-chloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 92856830
1-propan-2-yloxy-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 60898998
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108960459
1-morpholin-4-yl-3-[[7-(2-morpholin-4-ylethylamino)quinolino[8,7-h]quinolin-1-yl]amino]propan-2-ol
CID 155522897

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-[2-(trifluoromethyl)anilino]propan-2-ol?
The IUPAC name of 1-morpholin-4-yl-3-[2-(trifluoromethyl)anilino]propan-2-ol (CID 60898999) is 1-morpholin-4-yl-3-[2-(trifluoromethyl)anilino]propan-2-ol.
What is the SMILES notation for 1-morpholin-4-yl-3-[2-(trifluoromethyl)anilino]propan-2-ol?
The canonical SMILES for 1-morpholin-4-yl-3-[2-(trifluoromethyl)anilino]propan-2-ol is OC(CNc1ccccc1C(F)(F)F)CN1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-[2-(trifluoromethyl)anilino]propan-2-ol?
The InChIKey is KHBSQAXYFJIFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c15-14(16,17)12-3-1-2-4-13(12)18-9-11(20)10-19-5-7-21-8-6-19/h1-4,11,18,20H,5-10H2.
What are the key properties of 1-morpholin-4-yl-3-[2-(trifluoromethyl)anilino]propan-2-ol?
1-morpholin-4-yl-3-[2-(trifluoromethyl)anilino]propan-2-ol has a molecular weight of 304.31 g/mol, XLogP of 1.81, 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-(trifluoromethyl)anilino]propan-2-ol is sourced from PubChem (CID 60898999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).