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

C14H20FNO2 — CID 107270703

IUPAC3-[[1-(3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol
SMILESCC(NCC1(O)CCOC1C)c1cccc(F)c1
InChIInChI=1S/C14H20FNO2/c1-10(12-4-3-5-13(15)8-12)16-9-14(17)6-7-18-11(14)2/h3-5,8,10-11,16-17H,6-7,9H2,1-2H3
InChIKeyCQNJIOKQRDFOLY-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.02
Rot. Bonds4

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

3-[[1-(3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol (PubChem CID 107270703) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 3-[[1-(3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[1-(3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol
PubChem CID107270703
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name3-[[1-(3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol
SMILESCC(NCC1(O)CCOC1C)c1cccc(F)c1
InChIInChI=1S/C14H20FNO2/c1-10(12-4-3-5-13(15)8-12)16-9-14(17)6-7-18-11(14)2/h3-5,8,10-11,16-17H,6-7,9H2,1-2H3
InChIKeyCQNJIOKQRDFOLY-UHFFFAOYSA-N
XLogP2.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-[3-(difluoromethoxy)phenyl]ethylamino]methyl]-2-methyloxolan-3-ol
CID 107270673
3-[[1-(3-fluorophenyl)propan-2-ylamino]methyl]-2-methyloxolan-3-ol
CID 107270655
3-[[1-(4-chloro-3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol
CID 107270576
2-methyl-3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]oxolan-3-ol
CID 107270585
3-[[1-(2-chlorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol
CID 107270611
(3S)-3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]oxolan-3-ol
CID 97108282
4-[1-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethyl]benzenesulfonamide
CID 107270686
3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]-2-methyloxolan-3-ol
CID 107270892
2-methyl-3-[(1-phenylbutylamino)methyl]oxolan-3-ol
CID 107270869
(1R)-1-(3-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
CID 81365715
2-[1-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile
CID 81365372
1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine
CID 103904006

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[1-(3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol (CID 107270703) is 3-[[1-(3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[1-(3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[1-(3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol is CC(NCC1(O)CCOC1C)c1cccc(F)c1.
What is the InChIKey of 3-[[1-(3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol?
The InChIKey is CQNJIOKQRDFOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-10(12-4-3-5-13(15)8-12)16-9-14(17)6-7-18-11(14)2/h3-5,8,10-11,16-17H,6-7,9H2,1-2H3.
What are the key properties of 3-[[1-(3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol?
3-[[1-(3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol has a molecular weight of 253.32 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 107270703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).