3-[3-[(cyclopropylamino)methyl]phenoxy]-1,1,1-trifluoropropan-2-ol

C13H16F3NO2 — CID 63900614

IUPAC3-[3-[(cyclopropylamino)methyl]phenoxy]-1,1,1-trifluoropropan-2-ol
SMILESOC(COc1cccc(CNC2CC2)c1)C(F)(F)F
InChIInChI=1S/C13H16F3NO2/c14-13(15,16)12(18)8-19-11-3-1-2-9(6-11)7-17-10-4-5-10/h1-3,6,10,12,17-18H,4-5,7-8H2
InChIKeyLCBIUCOIHYGRLG-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.24
Rot. Bonds6

About 3-[3-[(cyclopropylamino)methyl]phenoxy]-1,1,1-trifluoropropan-2-ol

3-[3-[(cyclopropylamino)methyl]phenoxy]-1,1,1-trifluoropropan-2-ol (PubChem CID 63900614) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 3-[3-[(cyclopropylamino)methyl]phenoxy]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[3-[(cyclopropylamino)methyl]phenoxy]-1,1,1-trifluoropropan-2-ol
PubChem CID63900614
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name3-[3-[(cyclopropylamino)methyl]phenoxy]-1,1,1-trifluoropropan-2-ol
SMILESOC(COc1cccc(CNC2CC2)c1)C(F)(F)F
InChIInChI=1S/C13H16F3NO2/c14-13(15,16)12(18)8-19-11-3-1-2-9(6-11)7-17-10-4-5-10/h1-3,6,10,12,17-18H,4-5,7-8H2
InChIKeyLCBIUCOIHYGRLG-UHFFFAOYSA-N
XLogP2.24
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenoxy]propan-2-ol
CID 103156399
3-[3-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide
CID 43311904
2-[3-(3,3,3-trifluoro-2-hydroxypropoxy)phenyl]acetic acid
CID 63899374
3-[3-[(cyclopropylamino)methyl]phenoxy]propanamide
CID 43278492
1-[3-[(cyclopropylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol
CID 114491649
N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366699
2-[3-[(cyclohexylamino)methyl]phenoxy]acetic acid
CID 102535848
methyl 4-[3-[(cyclopropylamino)methyl]phenoxy]butanoate
CID 60881675
N-[(3-but-3-en-2-yloxyphenyl)methyl]cyclopropanamine
CID 62388606
3-(3-aminophenoxy)-1,1,1-trifluoropropan-2-ol
CID 63901721
N-[(3-cyclopropyloxyphenyl)methyl]cyclopropanamine
CID 114521707
N-[[3-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine
CID 114471432

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(cyclopropylamino)methyl]phenoxy]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[3-[(cyclopropylamino)methyl]phenoxy]-1,1,1-trifluoropropan-2-ol (CID 63900614) is 3-[3-[(cyclopropylamino)methyl]phenoxy]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[3-[(cyclopropylamino)methyl]phenoxy]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[3-[(cyclopropylamino)methyl]phenoxy]-1,1,1-trifluoropropan-2-ol is OC(COc1cccc(CNC2CC2)c1)C(F)(F)F.
What is the InChIKey of 3-[3-[(cyclopropylamino)methyl]phenoxy]-1,1,1-trifluoropropan-2-ol?
The InChIKey is LCBIUCOIHYGRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c14-13(15,16)12(18)8-19-11-3-1-2-9(6-11)7-17-10-4-5-10/h1-3,6,10,12,17-18H,4-5,7-8H2.
What are the key properties of 3-[3-[(cyclopropylamino)methyl]phenoxy]-1,1,1-trifluoropropan-2-ol?
3-[3-[(cyclopropylamino)methyl]phenoxy]-1,1,1-trifluoropropan-2-ol has a molecular weight of 275.27 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(cyclopropylamino)methyl]phenoxy]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63900614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).