3-[[1-(3-fluorophenyl)propan-2-ylamino]methyl]-2-methyloxolan-3-ol

C15H22FNO2 — CID 107270655

IUPAC3-[[1-(3-fluorophenyl)propan-2-ylamino]methyl]-2-methyloxolan-3-ol
SMILESCC(Cc1cccc(F)c1)NCC1(O)CCOC1C
InChIInChI=1S/C15H22FNO2/c1-11(8-13-4-3-5-14(16)9-13)17-10-15(18)6-7-19-12(15)2/h3-5,9,11-12,17-18H,6-8,10H2,1-2H3
InChIKeyGRTUCFREPZMFAJ-UHFFFAOYSA-N
MW267.34 g/mol
LogP1.89
Rot. Bonds5

About 3-[[1-(3-fluorophenyl)propan-2-ylamino]methyl]-2-methyloxolan-3-ol

3-[[1-(3-fluorophenyl)propan-2-ylamino]methyl]-2-methyloxolan-3-ol (PubChem CID 107270655) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 3-[[1-(3-fluorophenyl)propan-2-ylamino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[1-(3-fluorophenyl)propan-2-ylamino]methyl]-2-methyloxolan-3-ol
PubChem CID107270655
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name3-[[1-(3-fluorophenyl)propan-2-ylamino]methyl]-2-methyloxolan-3-ol
SMILESCC(Cc1cccc(F)c1)NCC1(O)CCOC1C
InChIInChI=1S/C15H22FNO2/c1-11(8-13-4-3-5-14(16)9-13)17-10-15(18)6-7-19-12(15)2/h3-5,9,11-12,17-18H,6-8,10H2,1-2H3
InChIKeyGRTUCFREPZMFAJ-UHFFFAOYSA-N
XLogP1.89
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol
CID 107270703
(2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol
CID 98041266
2-methyl-3-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolan-3-ol
CID 107270600
3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol
CID 115894977
4-[1-(3-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 106840986
2-methyl-3-[(1-methylsulfonylpropan-2-ylamino)methyl]oxolan-3-ol
CID 107270852
3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]-2-methyloxolan-3-ol
CID 107270892
N-[1-(3-fluorophenyl)propan-2-yl]-2-(1-hydroxycyclohexyl)acetamide
CID 111538966
3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-ol
CID 82717852
N-[1-(3-fluorophenyl)propan-2-yl]cyclopropanamine
CID 115704573
N-(3-cyclopropylpropyl)-1-(3-fluorophenyl)propan-2-amine
CID 115890781
1-(4-fluorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]methanesulfonamide
CID 107271549

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-fluorophenyl)propan-2-ylamino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[1-(3-fluorophenyl)propan-2-ylamino]methyl]-2-methyloxolan-3-ol (CID 107270655) is 3-[[1-(3-fluorophenyl)propan-2-ylamino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[1-(3-fluorophenyl)propan-2-ylamino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[1-(3-fluorophenyl)propan-2-ylamino]methyl]-2-methyloxolan-3-ol is CC(Cc1cccc(F)c1)NCC1(O)CCOC1C.
What is the InChIKey of 3-[[1-(3-fluorophenyl)propan-2-ylamino]methyl]-2-methyloxolan-3-ol?
The InChIKey is GRTUCFREPZMFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-11(8-13-4-3-5-14(16)9-13)17-10-15(18)6-7-19-12(15)2/h3-5,9,11-12,17-18H,6-8,10H2,1-2H3.
What are the key properties of 3-[[1-(3-fluorophenyl)propan-2-ylamino]methyl]-2-methyloxolan-3-ol?
3-[[1-(3-fluorophenyl)propan-2-ylamino]methyl]-2-methyloxolan-3-ol has a molecular weight of 267.34 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-fluorophenyl)propan-2-ylamino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 107270655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).