2-[2-hydroxy-3-[[1-(trifluoromethyl)cyclopropyl]amino]propoxy]benzonitrile

C14H15F3N2O2 — CID 106212597

IUPAC2-[2-hydroxy-3-[[1-(trifluoromethyl)cyclopropyl]amino]propoxy]benzonitrile
SMILESN#Cc1ccccc1OCC(O)CNC1(C(F)(F)F)CC1
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)13(5-6-13)19-8-11(20)9-21-12-4-2-1-3-10(12)7-18/h1-4,11,19-20H,5-6,8-9H2
InChIKeyMHGXRYUOBPLZCZ-UHFFFAOYSA-N
MW300.28 g/mol
LogP1.98
Rot. Bonds6

About 2-[2-hydroxy-3-[[1-(trifluoromethyl)cyclopropyl]amino]propoxy]benzonitrile

2-[2-hydroxy-3-[[1-(trifluoromethyl)cyclopropyl]amino]propoxy]benzonitrile (PubChem CID 106212597) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 2-[2-hydroxy-3-[[1-(trifluoromethyl)cyclopropyl]amino]propoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-hydroxy-3-[[1-(trifluoromethyl)cyclopropyl]amino]propoxy]benzonitrile
PubChem CID106212597
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name2-[2-hydroxy-3-[[1-(trifluoromethyl)cyclopropyl]amino]propoxy]benzonitrile
SMILESN#Cc1ccccc1OCC(O)CNC1(C(F)(F)F)CC1
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)13(5-6-13)19-8-11(20)9-21-12-4-2-1-3-10(12)7-18/h1-4,11,19-20H,5-6,8-9H2
InChIKeyMHGXRYUOBPLZCZ-UHFFFAOYSA-N
XLogP1.98
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol
CID 106212261
2-[3-(2,2-difluoroethylamino)-2-hydroxypropoxy]benzonitrile
CID 113303744
2-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]benzonitrile;hydrochloride
CID 76967522
2-[3-(2,3-dihydroxypropylamino)-2-hydroxypropoxy]benzonitrile
CID 66170152
1-(2,6-dichlorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol
CID 106212245
2-[2-hydroxy-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propoxy]benzonitrile
CID 106190130
2-[2-hydroxy-3-(3-methylbut-2-enylamino)propoxy]benzonitrile
CID 106188785
2-[2-hydroxy-3-[(2-hydroxy-4-methylpentyl)amino]propoxy]benzonitrile
CID 107152676
2-[2-hydroxy-3-[(4-methylpiperazin-1-yl)amino]propoxy]benzonitrile
CID 83019129
2-[3-[3-[2-[2-[[2-[3-[3-(2-cyanophenoxy)-2-hydroxypropoxy]-2-hydroxypropoxy]-1,1-difluoroethoxy]-difluoromethoxy]-2,2-difluoroethoxy]ethoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]benzonitrile
CID 159845076
2-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propoxy]benzonitrile
CID 154193939
3-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide
CID 106174965

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-[[1-(trifluoromethyl)cyclopropyl]amino]propoxy]benzonitrile?
The IUPAC name of 2-[2-hydroxy-3-[[1-(trifluoromethyl)cyclopropyl]amino]propoxy]benzonitrile (CID 106212597) is 2-[2-hydroxy-3-[[1-(trifluoromethyl)cyclopropyl]amino]propoxy]benzonitrile.
What is the SMILES notation for 2-[2-hydroxy-3-[[1-(trifluoromethyl)cyclopropyl]amino]propoxy]benzonitrile?
The canonical SMILES for 2-[2-hydroxy-3-[[1-(trifluoromethyl)cyclopropyl]amino]propoxy]benzonitrile is N#Cc1ccccc1OCC(O)CNC1(C(F)(F)F)CC1.
What is the InChIKey of 2-[2-hydroxy-3-[[1-(trifluoromethyl)cyclopropyl]amino]propoxy]benzonitrile?
The InChIKey is MHGXRYUOBPLZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c15-14(16,17)13(5-6-13)19-8-11(20)9-21-12-4-2-1-3-10(12)7-18/h1-4,11,19-20H,5-6,8-9H2.
What are the key properties of 2-[2-hydroxy-3-[[1-(trifluoromethyl)cyclopropyl]amino]propoxy]benzonitrile?
2-[2-hydroxy-3-[[1-(trifluoromethyl)cyclopropyl]amino]propoxy]benzonitrile has a molecular weight of 300.28 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-[[1-(trifluoromethyl)cyclopropyl]amino]propoxy]benzonitrile is sourced from PubChem (CID 106212597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).