(1R)-1-[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine

C14H20FNO2 — CID 103133470

IUPAC(1R)-1-[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
SMILESCC1CCC(COc2ccc([C@@H](C)N)cc2F)O1
InChIInChI=1S/C14H20FNO2/c1-9-3-5-12(18-9)8-17-14-6-4-11(10(2)16)7-13(14)15/h4,6-7,9-10,12H,3,5,8,16H2,1-2H3/t9?,10-,12?/m1/s1
InChIKeyAGPOGEXBROCPGI-SQLBVSGCSA-N
MW253.32 g/mol
LogP2.79
Rot. Bonds4

About (1R)-1-[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine

(1R)-1-[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine (PubChem CID 103133470) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is (1R)-1-[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
PubChem CID103133470
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name(1R)-1-[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
SMILESCC1CCC(COc2ccc([C@@H](C)N)cc2F)O1
InChIInChI=1S/C14H20FNO2/c1-9-3-5-12(18-9)8-17-14-6-4-11(10(2)16)7-13(14)15/h4,6-7,9-10,12H,3,5,8,16H2,1-2H3/t9?,10-,12?/m1/s1
InChIKeyAGPOGEXBROCPGI-SQLBVSGCSA-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

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Related Compounds

3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]aniline
CID 103132575
(1S)-1-[4-(cyclopentylmethoxy)-3-fluorophenyl]ethanamine
CID 79034595
(1S)-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103133228
(1S)-1-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103133258
[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol
CID 107690882
(1R)-1-[4-bromo-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103133522
2-[(5-fluoro-2-methylphenoxy)methyl]-5-methyloxolane
CID 103141088
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
1-(4-cyclopropyloxy-3-fluorophenyl)ethanamine
CID 130562859
1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol
CID 103135137
1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine
CID 103136586

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine (CID 103133470) is (1R)-1-[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine is CC1CCC(COc2ccc([C@@H](C)N)cc2F)O1.
What is the InChIKey of (1R)-1-[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine?
The InChIKey is AGPOGEXBROCPGI-SQLBVSGCSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-9-3-5-12(18-9)8-17-14-6-4-11(10(2)16)7-13(14)15/h4,6-7,9-10,12H,3,5,8,16H2,1-2H3/t9?,10-,12?/m1/s1.
What are the key properties of (1R)-1-[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine?
(1R)-1-[3-fluoro-4-[(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 (1R)-1-[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 103133470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).