2-(3-fluorophenyl)-2-(oxolan-3-yl)ethanamine

C12H16FNO — CID 83820646

IUPAC2-(3-fluorophenyl)-2-(oxolan-3-yl)ethanamine
SMILESNCC(c1cccc(F)c1)C1CCOC1
InChIInChI=1S/C12H16FNO/c13-11-3-1-2-9(6-11)12(7-14)10-4-5-15-8-10/h1-3,6,10,12H,4-5,7-8,14H2
InChIKeyUZKJWGFCMIAXLD-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.90
Rot. Bonds3

About 2-(3-fluorophenyl)-2-(oxolan-3-yl)ethanamine

2-(3-fluorophenyl)-2-(oxolan-3-yl)ethanamine (PubChem CID 83820646) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-(oxolan-3-yl)ethanamine
PubChem CID83820646
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-(3-fluorophenyl)-2-(oxolan-3-yl)ethanamine
SMILESNCC(c1cccc(F)c1)C1CCOC1
InChIInChI=1S/C12H16FNO/c13-11-3-1-2-9(6-11)12(7-14)10-4-5-15-8-10/h1-3,6,10,12H,4-5,7-8,14H2
InChIKeyUZKJWGFCMIAXLD-UHFFFAOYSA-N
XLogP1.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-amino-1-(oxolan-3-yl)ethyl]phenol
CID 105460621
(S)-(3-fluorophenyl)-(oxan-4-yl)methanamine
CID 95255362
N-[(3-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 63563793
1-(3-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride
CID 131637584
[1-(3-fluorophenyl)-2-(oxolan-3-yl)ethyl]hydrazine
CID 105266099
3-cyclohexyl-3-(3-fluorophenyl)propan-1-amine
CID 82083463
N-[1-(3-fluorophenyl)propyl]oxolan-3-amine
CID 114871720
N'-(3-fluorophenyl)-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 113448202
2-(3-fluorophenoxy)-1-(oxan-4-yl)ethanamine
CID 117238779
1,4-dioxan-2-yl-(3-fluorophenyl)methanamine
CID 65351089
4-[2-amino-1-(3-fluorophenyl)ethyl]morpholine-3-carboxamide
CID 83102016
2-(3-methoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 105496707

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(3-fluorophenyl)-2-(oxolan-3-yl)ethanamine (CID 83820646) is 2-(3-fluorophenyl)-2-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-2-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-2-(oxolan-3-yl)ethanamine is NCC(c1cccc(F)c1)C1CCOC1.
What is the InChIKey of 2-(3-fluorophenyl)-2-(oxolan-3-yl)ethanamine?
The InChIKey is UZKJWGFCMIAXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c13-11-3-1-2-9(6-11)12(7-14)10-4-5-15-8-10/h1-3,6,10,12H,4-5,7-8,14H2.
What are the key properties of 2-(3-fluorophenyl)-2-(oxolan-3-yl)ethanamine?
2-(3-fluorophenyl)-2-(oxolan-3-yl)ethanamine has a molecular weight of 209.26 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 83820646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).