2-(cyclopropylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol

C14H18F3NO2 — CID 64804090

IUPAC2-(cyclopropylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol
SMILESOCC(CCOc1ccccc1C(F)(F)F)NC1CC1
InChIInChI=1S/C14H18F3NO2/c15-14(16,17)12-3-1-2-4-13(12)20-8-7-11(9-19)18-10-5-6-10/h1-4,10-11,18-19H,5-9H2
InChIKeyVDXRLKMLQPJMBJ-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.59
Rot. Bonds7

About 2-(cyclopropylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol

2-(cyclopropylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol (PubChem CID 64804090) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol
PubChem CID64804090
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name2-(cyclopropylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol
SMILESOCC(CCOc1ccccc1C(F)(F)F)NC1CC1
InChIInChI=1S/C14H18F3NO2/c15-14(16,17)12-3-1-2-4-13(12)20-8-7-11(9-19)18-10-5-6-10/h1-4,10-11,18-19H,5-9H2
InChIKeyVDXRLKMLQPJMBJ-UHFFFAOYSA-N
XLogP2.59
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol
CID 64803666
2-(cyclopropylamino)-4-(5-fluoro-2-methylphenoxy)butan-1-ol
CID 102988049
1-cyclobutyl-2-[2-(trifluoromethyl)phenoxy]ethanol
CID 117245560
2-(cyclopropylamino)-3-(2-ethylphenoxy)propan-1-ol
CID 64806250
2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butan-1-ol
CID 64810584
1-[3-(methylamino)piperidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone;hydrochloride
CID 119493476
2-(propan-2-ylamino)-4-[2-(trifluoromethyl)phenoxy]butanoic acid
CID 63041584
1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-ol
CID 110910733
2-(methylamino)-4-[2-(trifluoromethyl)phenoxy]butanenitrile
CID 55143143
2-(cyclopropylamino)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butan-1-ol
CID 64805558
2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propan-1-ol
CID 64809098
1-(2-methoxyethoxy)-2-(trifluoromethyl)benzene
CID 25185445

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol (CID 64804090) is 2-(cyclopropylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol is OCC(CCOc1ccccc1C(F)(F)F)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol?
The InChIKey is VDXRLKMLQPJMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c15-14(16,17)12-3-1-2-4-13(12)20-8-7-11(9-19)18-10-5-6-10/h1-4,10-11,18-19H,5-9H2.
What are the key properties of 2-(cyclopropylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol?
2-(cyclopropylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol has a molecular weight of 289.30 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol is sourced from PubChem (CID 64804090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).