2-(3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine

C15H22FNO — CID 65155838

IUPAC2-(3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
SMILESCC1OC(C)C(C(N)Cc2cccc(F)c2)C1C
InChIInChI=1S/C15H22FNO/c1-9-10(2)18-11(3)15(9)14(17)8-12-5-4-6-13(16)7-12/h4-7,9-11,14-15H,8,17H2,1-3H3
InChIKeyRTDFRAQXDXXMBZ-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.76
Rot. Bonds3

About 2-(3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine

2-(3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine (PubChem CID 65155838) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
PubChem CID65155838
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-(3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
SMILESCC1OC(C)C(C(N)Cc2cccc(F)c2)C1C
InChIInChI=1S/C15H22FNO/c1-9-10(2)18-11(3)15(9)14(17)8-12-5-4-6-13(16)7-12/h4-7,9-11,14-15H,8,17H2,1-3H3
InChIKeyRTDFRAQXDXXMBZ-UHFFFAOYSA-N
XLogP2.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 66475957
2-(furan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 105030155
3-[1-bromo-2-(3-bromophenyl)ethyl]-2,4,5-trimethyloxolane
CID 65159640
2-[3-(trifluoromethyl)phenyl]-1-(2,4,5-trimethyloxolan-3-yl)ethanol
CID 115782694
5-(3-fluorophenyl)-4-methylpentan-2-amine
CID 64719620
1-(2,6-difluorophenyl)-3-(3-fluorophenyl)propan-2-amine
CID 114931874
2-(2-chloro-4-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
CID 115785318
1-(3-fluorophenyl)nonan-2-amine
CID 63417129
1-(3-fluorophenyl)-3-propan-2-yloxypropan-2-amine
CID 79574359
ethane;1-fluoro-3-(2-methylpropyl)benzene
CID 142079473
2-quinolin-4-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 104997435
1-(4-ethylmorpholin-2-yl)-2-(3-fluorophenyl)ethanamine
CID 79666865

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
The IUPAC name of 2-(3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine (CID 65155838) is 2-(3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine is CC1OC(C)C(C(N)Cc2cccc(F)c2)C1C.
What is the InChIKey of 2-(3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
The InChIKey is RTDFRAQXDXXMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-9-10(2)18-11(3)15(9)14(17)8-12-5-4-6-13(16)7-12/h4-7,9-11,14-15H,8,17H2,1-3H3.
What are the key properties of 2-(3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
2-(3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine has a molecular weight of 251.34 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine is sourced from PubChem (CID 65155838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).