1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine

C16H24FNO2 — CID 107716568

IUPAC1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCC2CCC(C)(C)O2)cc1F
InChIInChI=1S/C16H24FNO2/c1-11(18-4)14-6-5-12(9-15(14)17)19-10-13-7-8-16(2,3)20-13/h5-6,9,11,13,18H,7-8,10H2,1-4H3
InChIKeyDDAKCRRPHANHKF-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.44
Rot. Bonds5

About 1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine

1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine (PubChem CID 107716568) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine
PubChem CID107716568
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCC2CCC(C)(C)O2)cc1F
InChIInChI=1S/C16H24FNO2/c1-11(18-4)14-6-5-12(9-15(14)17)19-10-13-7-8-16(2,3)20-13/h5-6,9,11,13,18H,7-8,10H2,1-4H3
InChIKeyDDAKCRRPHANHKF-UHFFFAOYSA-N
XLogP3.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-bromo-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-N-methylethanamine
CID 116520806
4-[(5,5-dimethyloxolan-2-yl)methoxy]-2-fluorobenzenecarbothioamide
CID 116521867
5-[(3-fluorophenoxy)methyl]-2,2-dimethyloxolane
CID 116524396
1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 116520718
(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 104889478
(5S)-2,2-dimethyl-5-(phenoxymethyl)oxolane
CID 141293396
1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]-N-ethylethanamine
CID 116520860
1-[2-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-N-methylethanamine
CID 107716494
1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686630
1-[2-fluoro-4-(4-methoxybutoxy)phenyl]-N-methylethanamine
CID 107716952
5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2,2-dimethyloxolane
CID 102714672
2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-methylacetamide
CID 107716600

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine?
The IUPAC name of 1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine (CID 107716568) is 1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine is CNC(C)c1ccc(OCC2CCC(C)(C)O2)cc1F.
What is the InChIKey of 1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine?
The InChIKey is DDAKCRRPHANHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-11(18-4)14-6-5-12(9-15(14)17)19-10-13-7-8-16(2,3)20-13/h5-6,9,11,13,18H,7-8,10H2,1-4H3.
What are the key properties of 1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine?
1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine has a molecular weight of 281.37 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine is sourced from PubChem (CID 107716568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).