(1S)-1-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine

C14H20FNO2 — CID 103133258

IUPAC(1S)-1-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
SMILESCC1CCC(COc2cc(F)ccc2[C@H](C)N)O1
InChIInChI=1S/C14H20FNO2/c1-9-3-5-12(18-9)8-17-14-7-11(15)4-6-13(14)10(2)16/h4,6-7,9-10,12H,3,5,8,16H2,1-2H3/t9?,10-,12?/m0/s1
InChIKeyZUTGZXTUNAZKNY-YZRBJQDESA-N
MW253.32 g/mol
LogP2.79
Rot. Bonds4

About (1S)-1-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine

(1S)-1-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine (PubChem CID 103133258) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is (1S)-1-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
PubChem CID103133258
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name(1S)-1-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
SMILESCC1CCC(COc2cc(F)ccc2[C@H](C)N)O1
InChIInChI=1S/C14H20FNO2/c1-9-3-5-12(18-9)8-17-14-7-11(15)4-6-13(14)10(2)16/h4,6-7,9-10,12H,3,5,8,16H2,1-2H3/t9?,10-,12?/m0/s1
InChIKeyZUTGZXTUNAZKNY-YZRBJQDESA-N
XLogP2.79
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Analyze (1S)-1-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]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-bromo-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103133522
2-[(5-fluoro-2-methylphenoxy)methyl]-5-methyloxolane
CID 103141088
2-[(2-bromo-5-fluorophenoxy)methyl]-5-methyloxolane
CID 103134451
(1R)-1-[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103133470
potassium trifluoro-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide
CID 103135595
trifluoro-[5-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide
CID 103135573
1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]propan-2-ol
CID 63368001
4-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]but-3-yn-1-ol
CID 103136463
(1R)-1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158458
3-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-yn-1-ol
CID 103136462
(1S)-1-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 78937766
1-[4-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol
CID 103135196

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine (CID 103133258) is (1S)-1-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine is CC1CCC(COc2cc(F)ccc2[C@H](C)N)O1.
What is the InChIKey of (1S)-1-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine?
The InChIKey is ZUTGZXTUNAZKNY-YZRBJQDESA-N. The full InChI is InChI=1S/C14H20FNO2/c1-9-3-5-12(18-9)8-17-14-7-11(15)4-6-13(14)10(2)16/h4,6-7,9-10,12H,3,5,8,16H2,1-2H3/t9?,10-,12?/m0/s1.
What are the key properties of (1S)-1-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine?
(1S)-1-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine has a molecular weight of 253.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 103133258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).