(1R)-1-[5-fluoro-2-(1-methoxypropan-2-yloxy)phenyl]ethanamine

C12H18FNO2 — CID 78956396

IUPAC(1R)-1-[5-fluoro-2-(1-methoxypropan-2-yloxy)phenyl]ethanamine
SMILESCOCC(C)Oc1ccc(F)cc1[C@@H](C)N
InChIInChI=1S/C12H18FNO2/c1-8(7-15-3)16-12-5-4-10(13)6-11(12)9(2)14/h4-6,8-9H,7,14H2,1-3H3/t8?,9-/m1/s1
InChIKeyFGGMQVQEHGZRIC-YGPZHTELSA-N
MW227.28 g/mol
LogP2.26
Rot. Bonds5

About (1R)-1-[5-fluoro-2-(1-methoxypropan-2-yloxy)phenyl]ethanamine

(1R)-1-[5-fluoro-2-(1-methoxypropan-2-yloxy)phenyl]ethanamine (PubChem CID 78956396) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is (1R)-1-[5-fluoro-2-(1-methoxypropan-2-yloxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-fluoro-2-(1-methoxypropan-2-yloxy)phenyl]ethanamine
PubChem CID78956396
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name(1R)-1-[5-fluoro-2-(1-methoxypropan-2-yloxy)phenyl]ethanamine
SMILESCOCC(C)Oc1ccc(F)cc1[C@@H](C)N
InChIInChI=1S/C12H18FNO2/c1-8(7-15-3)16-12-5-4-10(13)6-11(12)9(2)14/h4-6,8-9H,7,14H2,1-3H3/t8?,9-/m1/s1
InChIKeyFGGMQVQEHGZRIC-YGPZHTELSA-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

1-[5-fluoro-2-(4-methylpentan-2-yloxy)phenyl]ethanamine
CID 43189068
[5-fluoro-2-(1-methoxypropan-2-yloxy)phenyl]methanol
CID 107698403
(1S)-1-[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine
CID 107718696
(1R)-1-(5-fluoro-2-pentoxyphenyl)ethanamine
CID 63370186
tert-butyl N-[2-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]propyl]carbamate
CID 133080612
(1S)-1-[5-fluoro-2-(3-methoxy-3-methylbutoxy)phenyl]ethanamine
CID 103032866
(1R)-1-[5-fluoro-2-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 29003340
(1S)-1-[3-methoxy-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine
CID 78960200
(1R)-1-[2-[(3,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 105402653
(1R)-1-[3-bromo-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine
CID 78956397
1-[5-fluoro-2-(2-phenylethoxy)phenyl]ethanamine
CID 43128588
(1S)-1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanamine
CID 29003282

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-fluoro-2-(1-methoxypropan-2-yloxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[5-fluoro-2-(1-methoxypropan-2-yloxy)phenyl]ethanamine (CID 78956396) is (1R)-1-[5-fluoro-2-(1-methoxypropan-2-yloxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-fluoro-2-(1-methoxypropan-2-yloxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[5-fluoro-2-(1-methoxypropan-2-yloxy)phenyl]ethanamine is COCC(C)Oc1ccc(F)cc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[5-fluoro-2-(1-methoxypropan-2-yloxy)phenyl]ethanamine?
The InChIKey is FGGMQVQEHGZRIC-YGPZHTELSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-8(7-15-3)16-12-5-4-10(13)6-11(12)9(2)14/h4-6,8-9H,7,14H2,1-3H3/t8?,9-/m1/s1.
What are the key properties of (1R)-1-[5-fluoro-2-(1-methoxypropan-2-yloxy)phenyl]ethanamine?
(1R)-1-[5-fluoro-2-(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 (1R)-1-[5-fluoro-2-(1-methoxypropan-2-yloxy)phenyl]ethanamine is sourced from PubChem (CID 78956396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).