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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Alprenolol
CID 2119
Alprenolol Hydrochloride
CID 66368
(+-)-Bunitrolol
CID 2473
Alprenolol, (S)-
CID 204665
2-Propanol, 1-((1-methylethyl)amino)-3-(2-(2-propenyl)phenoxy)-, (R)-
CID 203685
1-((1-Methylethyl)amino)-3-(2-propylphenoxy)-2-propanol
CID 43216
Procinolol
CID 71707
Ko 1313
CID 38065
1-(2-Allyl-phenoxy)-3-methylamino-propan-2-ol
CID 650108
1-[2-(Hydroxymethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 10060160
1-(Isopropylamino)-3-(2-methylphenoxy)-2-propanol
CID 10332812
(+/-)-2-([3-((1,1-Dimethyl-2-[4-(methyloxy)phenyl]ethyl)amino)-2-hydroxypropyl]oxy)benzonitrile
CID 19360456

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).