(1S)-1-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]ethanamine

C13H18FNO2 — CID 78937766

IUPAC(1S)-1-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]ethanamine
SMILESC[C@H](N)c1cc(F)ccc1OCC1CCCO1
InChIInChI=1S/C13H18FNO2/c1-9(15)12-7-10(14)4-5-13(12)17-8-11-3-2-6-16-11/h4-5,7,9,11H,2-3,6,8,15H2,1H3/t9-,11?/m0/s1
InChIKeyLUXFNOAYOMZXGS-FTNKSUMCSA-N
MW239.29 g/mol
LogP2.40
Rot. Bonds4

About (1S)-1-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]ethanamine

(1S)-1-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]ethanamine (PubChem CID 78937766) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is (1S)-1-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]ethanamine
PubChem CID78937766
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name(1S)-1-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]ethanamine
SMILESC[C@H](N)c1cc(F)ccc1OCC1CCCO1
InChIInChI=1S/C13H18FNO2/c1-9(15)12-7-10(14)4-5-13(12)17-8-11-3-2-6-16-11/h4-5,7,9,11H,2-3,6,8,15H2,1H3/t9-,11?/m0/s1
InChIKeyLUXFNOAYOMZXGS-FTNKSUMCSA-N
XLogP2.40
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158458
5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]aniline
CID 40822784
3-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-methylbutanamide
CID 120500648
(1R)-1-[4-fluoro-2-(oxan-2-ylmethoxy)phenyl]ethanol
CID 63365868
5-fluoro-2-[[(2R)-oxan-2-yl]methoxy]aniline
CID 26189643
(1S)-1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-amine
CID 78932149
1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 16790426
(1S)-1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 79004695
1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158929
5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]-N-[(1R)-1-pyridin-4-ylethyl]aniline
CID 99781783
1-(2,5-difluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine
CID 45283478
1-[2-methoxy-6-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 113389072

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]ethanamine (CID 78937766) is (1S)-1-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]ethanamine is C[C@H](N)c1cc(F)ccc1OCC1CCCO1.
What is the InChIKey of (1S)-1-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]ethanamine?
The InChIKey is LUXFNOAYOMZXGS-FTNKSUMCSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-9(15)12-7-10(14)4-5-13(12)17-8-11-3-2-6-16-11/h4-5,7,9,11H,2-3,6,8,15H2,1H3/t9-,11?/m0/s1.
What are the key properties of (1S)-1-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]ethanamine?
(1S)-1-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]ethanamine has a molecular weight of 239.29 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 78937766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).