3-[[1-(4-chloro-3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol

C14H19ClFNO2 — CID 107270576

IUPAC3-[[1-(4-chloro-3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol
SMILESCC(NCC1(O)CCOC1C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H19ClFNO2/c1-9(11-3-4-12(15)13(16)7-11)17-8-14(18)5-6-19-10(14)2/h3-4,7,9-10,17-18H,5-6,8H2,1-2H3
InChIKeyCWSFUEIHQGHHEK-UHFFFAOYSA-N
MW287.76 g/mol
LogP2.67
Rot. Bonds4

About 3-[[1-(4-chloro-3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol

3-[[1-(4-chloro-3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol (PubChem CID 107270576) has the molecular formula C14H19ClFNO2 and a molecular weight of 287.76 g/mol. Its IUPAC name is 3-[[1-(4-chloro-3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[1-(4-chloro-3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol
PubChem CID107270576
Molecular FormulaC14H19ClFNO2
Molecular Weight287.76 g/mol
Exact Mass287.11
IUPAC Name3-[[1-(4-chloro-3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol
SMILESCC(NCC1(O)CCOC1C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H19ClFNO2/c1-9(11-3-4-12(15)13(16)7-11)17-8-14(18)5-6-19-10(14)2/h3-4,7,9-10,17-18H,5-6,8H2,1-2H3
InChIKeyCWSFUEIHQGHHEK-UHFFFAOYSA-N
XLogP2.67
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.76
LogP ≤ 52.67
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
3-[[1-(2-chlorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol
CID 107270611
2-methyl-3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]oxolan-3-ol
CID 107270585
3-[[1-[3-(difluoromethoxy)phenyl]ethylamino]methyl]-2-methyloxolan-3-ol
CID 107270673
4-[1-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethyl]benzenesulfonamide
CID 107270686
2-chloro-N-[[(2R,3S)-3-hydroxy-2-methyloxolan-3-yl]methyl]-5-propan-2-ylbenzenesulfonamide
CID 124850098
3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]-2-methyloxolan-3-ol
CID 107270892
1-(4-chloro-3-fluorophenyl)-N-[(2-methylcyclopropyl)methyl]ethanamine
CID 115879137
3-[[1-(3-fluorophenyl)propan-2-ylamino]methyl]-2-methyloxolan-3-ol
CID 107270655
[1-[[1-(3-chloro-4-fluorophenyl)ethylamino]methyl]cyclopentyl]methanol
CID 115358450
2-chloro-5-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 107271388
4-[1-(4-chloro-3-fluorophenyl)ethylamino]-3,3-dimethylbutan-1-ol
CID 113345013

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-chloro-3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[1-(4-chloro-3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol (CID 107270576) is 3-[[1-(4-chloro-3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[1-(4-chloro-3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[1-(4-chloro-3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol is CC(NCC1(O)CCOC1C)c1ccc(Cl)c(F)c1.
What is the InChIKey of 3-[[1-(4-chloro-3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol?
The InChIKey is CWSFUEIHQGHHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO2/c1-9(11-3-4-12(15)13(16)7-11)17-8-14(18)5-6-19-10(14)2/h3-4,7,9-10,17-18H,5-6,8H2,1-2H3.
What are the key properties of 3-[[1-(4-chloro-3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol?
3-[[1-(4-chloro-3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol has a molecular weight of 287.76 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-chloro-3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 107270576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).