N-[2-(2-fluorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine

C16H24FNO — CID 79917839

IUPACN-[2-(2-fluorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCC1(C)CC(NCCc2ccccc2F)C(C)(C)O1
InChIInChI=1S/C16H24FNO/c1-15(2)11-14(16(3,4)19-15)18-10-9-12-7-5-6-8-13(12)17/h5-8,14,18H,9-11H2,1-4H3
InChIKeyOCXAEPUKLNNFDW-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.30
Rot. Bonds4

About N-[2-(2-fluorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine

N-[2-(2-fluorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 79917839) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID79917839
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCC1(C)CC(NCCc2ccccc2F)C(C)(C)O1
InChIInChI=1S/C16H24FNO/c1-15(2)11-14(16(3,4)19-15)18-10-9-12-7-5-6-8-13(12)17/h5-8,14,18H,9-11H2,1-4H3
InChIKeyOCXAEPUKLNNFDW-UHFFFAOYSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79828913
2-(2-fluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
CID 114622360
2,2,5,5-tetramethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolan-3-amine
CID 79927269
(3R,4S)-6,7-diamino-4-[2-(2-fluorophenyl)ethylamino]-2,2-dimethyl-3,4-dihydrochromen-3-ol
CID 59134334
2-(2,3-difluorophenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 105052763
N-[3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propyl]thiophene-2-carboxamide
CID 75471381
ethane;N-ethyl-2-(2-fluorophenyl)ethanamine
CID 155737119
N'-[2-(2-fluorophenyl)ethyl]-N-methylmethanediamine
CID 115227243
(3R,4S)-4-[2-(2-fluorophenyl)ethylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide
CID 58632202
2,2,5,5-tetramethyl-N-[(2-methyl-3-nitrophenyl)methyl]oxolan-3-amine
CID 104927068
N-[2-(2-fluorophenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103776045
(3R)-N-(1,3-benzoxazol-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 99632854

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine (CID 79917839) is N-[2-(2-fluorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine is CC1(C)CC(NCCc2ccccc2F)C(C)(C)O1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is OCXAEPUKLNNFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-15(2)11-14(16(3,4)19-15)18-10-9-12-7-5-6-8-13(12)17/h5-8,14,18H,9-11H2,1-4H3.
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine?
N-[2-(2-fluorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 265.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 79917839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).