(1R)-1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine

C14H20FNO2 — CID 65158458

IUPAC(1R)-1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(F)cc1OCCC1CCCO1
InChIInChI=1S/C14H20FNO2/c1-10(16)13-5-4-11(15)9-14(13)18-8-6-12-3-2-7-17-12/h4-5,9-10,12H,2-3,6-8,16H2,1H3/t10-,12?/m1/s1
InChIKeyVAASAOCIWLVZOT-RWANSRKNSA-N
MW253.32 g/mol
LogP2.79
Rot. Bonds5

About (1R)-1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine

(1R)-1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine (PubChem CID 65158458) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is (1R)-1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
PubChem CID65158458
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name(1R)-1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(F)cc1OCCC1CCCO1
InChIInChI=1S/C14H20FNO2/c1-10(16)13-5-4-11(15)9-14(13)18-8-6-12-3-2-7-17-12/h4-5,9-10,12H,2-3,6-8,16H2,1H3/t10-,12?/m1/s1
InChIKeyVAASAOCIWLVZOT-RWANSRKNSA-N
XLogP2.79
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158484
(1S)-1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158891
N-[1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethyl]propan-1-amine
CID 65158936
1-[4-methyl-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanamine
CID 65158556
(1R)-1-[2-fluoro-4-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 107718599
(1S)-1-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 78937766
1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158929
(1S)-1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 79004695
1-[1-[2-(oxolan-2-yl)ethoxy]naphthalen-2-yl]ethanamine
CID 65158928
(1R)-1-[4-fluoro-2-(oxan-2-ylmethoxy)phenyl]ethanol
CID 63365868
(1S)-1-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103133258
(1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 79004698

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine (CID 65158458) is (1R)-1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine is C[C@@H](N)c1ccc(F)cc1OCCC1CCCO1.
What is the InChIKey of (1R)-1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine?
The InChIKey is VAASAOCIWLVZOT-RWANSRKNSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-10(16)13-5-4-11(15)9-14(13)18-8-6-12-3-2-7-17-12/h4-5,9-10,12H,2-3,6-8,16H2,1H3/t10-,12?/m1/s1.
What are the key properties of (1R)-1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine?
(1R)-1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine has a molecular weight of 253.32 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 65158458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).