(1S)-1-[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine

C12H18FNO2 — CID 107718696

IUPAC(1S)-1-[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine
SMILESCOCC(C)Oc1ccc([C@H](C)N)c(F)c1
InChIInChI=1S/C12H18FNO2/c1-8(7-15-3)16-10-4-5-11(9(2)14)12(13)6-10/h4-6,8-9H,7,14H2,1-3H3/t8?,9-/m0/s1
InChIKeyUDHDVSOPRJOGAT-GKAPJAKFSA-N
MW227.28 g/mol
LogP2.26
Rot. Bonds5

About (1S)-1-[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine

(1S)-1-[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine (PubChem CID 107718696) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is (1S)-1-[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine
PubChem CID107718696
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name(1S)-1-[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine
SMILESCOCC(C)Oc1ccc([C@H](C)N)c(F)c1
InChIInChI=1S/C12H18FNO2/c1-8(7-15-3)16-10-4-5-11(9(2)14)12(13)6-10/h4-6,8-9H,7,14H2,1-3H3/t8?,9-/m0/s1
InChIKeyUDHDVSOPRJOGAT-GKAPJAKFSA-N
XLogP2.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-fluoro-4-pentan-2-yloxyphenyl)ethanamine
CID 107891175
(1R)-1-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanamine
CID 107718394
1-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-3-methoxypropan-2-ol
CID 107718953
N-[1-[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]ethyl]propan-1-amine
CID 107717617
1-[2-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 107715807
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol
CID 107718833
[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]boronic acid
CID 65203767
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methoxypropyl)propanamide
CID 107718364
(1R)-1-[2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine
CID 107718203
(1R)-1-[5-fluoro-2-(1-methoxypropan-2-yloxy)phenyl]ethanamine
CID 78956396
(1S)-1-[2-fluoro-4-(2-methylbutoxy)phenyl]ethanamine
CID 107718803
1-[2-fluoro-4-(2-phenoxyethoxy)phenyl]ethanamine
CID 107716078

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine (CID 107718696) is (1S)-1-[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine is COCC(C)Oc1ccc([C@H](C)N)c(F)c1.
What is the InChIKey of (1S)-1-[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine?
The InChIKey is UDHDVSOPRJOGAT-GKAPJAKFSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-8(7-15-3)16-10-4-5-11(9(2)14)12(13)6-10/h4-6,8-9H,7,14H2,1-3H3/t8?,9-/m0/s1.
What are the key properties of (1S)-1-[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine?
(1S)-1-[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine has a molecular weight of 227.28 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine is sourced from PubChem (CID 107718696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).