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

C17H26FNO2 — CID 116520860

IUPAC1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(F)ccc1OCC1CCC(C)(C)O1
InChIInChI=1S/C17H26FNO2/c1-5-19-12(2)15-10-13(18)6-7-16(15)20-11-14-8-9-17(3,4)21-14/h6-7,10,12,14,19H,5,8-9,11H2,1-4H3
InChIKeyYRZUPBHPTMSGSO-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.83
Rot. Bonds6

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

1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]-N-ethylethanamine (PubChem CID 116520860) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]-N-ethylethanamine
PubChem CID116520860
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(F)ccc1OCC1CCC(C)(C)O1
InChIInChI=1S/C17H26FNO2/c1-5-19-12(2)15-10-13(18)6-7-16(15)20-11-14-8-9-17(3,4)21-14/h6-7,10,12,14,19H,5,8-9,11H2,1-4H3
InChIKeyYRZUPBHPTMSGSO-UHFFFAOYSA-N
XLogP3.83
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]-N-ethylethanamine
CID 116520773
1-[5-bromo-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-N-methylethanamine
CID 116520806
[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]-trifluoroboranuide
CID 116522457
N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine
CID 107695869
1-[5-chloro-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 116520800
1-[5-bromo-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 116520805
N-ethyl-1-(5-fluoro-2-pentoxyphenyl)ethanamine
CID 43286048
N-ethyl-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethanamine
CID 43285224
1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine
CID 107716568
N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]methyl]propan-2-amine
CID 116520835
5-[(3-fluorophenoxy)methyl]-2,2-dimethyloxolane
CID 116524396
1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686630

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]-N-ethylethanamine (CID 116520860) is 1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]-N-ethylethanamine is CCNC(C)c1cc(F)ccc1OCC1CCC(C)(C)O1.
What is the InChIKey of 1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]-N-ethylethanamine?
The InChIKey is YRZUPBHPTMSGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-5-19-12(2)15-10-13(18)6-7-16(15)20-11-14-8-9-17(3,4)21-14/h6-7,10,12,14,19H,5,8-9,11H2,1-4H3.
What are the key properties of 1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]-N-ethylethanamine?
1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]-N-ethylethanamine has a molecular weight of 295.40 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]-N-ethylethanamine is sourced from PubChem (CID 116520860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).