(1S)-1-[2-fluoro-5-[(3S)-oxolan-3-yl]oxyphenyl]ethanamine

C12H16FNO2 — CID 169220677

IUPAC(1S)-1-[2-fluoro-5-[(3S)-oxolan-3-yl]oxyphenyl]ethanamine
SMILESC[C@H](N)c1cc(O[C@H]2CCOC2)ccc1F
InChIInChI=1S/C12H16FNO2/c1-8(14)11-6-9(2-3-12(11)13)16-10-4-5-15-7-10/h2-3,6,8,10H,4-5,7,14H2,1H3/t8-,10-/m0/s1
InChIKeyLVZXSNGGXDUXTN-WPRPVWTQSA-N
MW225.26 g/mol
LogP2.01
Rot. Bonds3

About (1S)-1-[2-fluoro-5-[(3S)-oxolan-3-yl]oxyphenyl]ethanamine

(1S)-1-[2-fluoro-5-[(3S)-oxolan-3-yl]oxyphenyl]ethanamine (PubChem CID 169220677) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is (1S)-1-[2-fluoro-5-[(3S)-oxolan-3-yl]oxyphenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-fluoro-5-[(3S)-oxolan-3-yl]oxyphenyl]ethanamine
PubChem CID169220677
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name(1S)-1-[2-fluoro-5-[(3S)-oxolan-3-yl]oxyphenyl]ethanamine
SMILESC[C@H](N)c1cc(O[C@H]2CCOC2)ccc1F
InChIInChI=1S/C12H16FNO2/c1-8(14)11-6-9(2-3-12(11)13)16-10-4-5-15-7-10/h2-3,6,8,10H,4-5,7,14H2,1H3/t8-,10-/m0/s1
InChIKeyLVZXSNGGXDUXTN-WPRPVWTQSA-N
XLogP2.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Isopropoxyphenyl)methanamine
CID 2760935
2-(3-Methylphenoxy)-1-phenylethanamine;hydrochloride
CID 162319183
1-[4-(Propan-2-yloxy)phenyl]ethan-1-amine
CID 59803
1-(3-Methoxyphenyl)ethanamine
CID 4612058
(R)-1-(3-Methoxyphenyl)ethylamine
CID 7020759
(S)-1-(3-methoxyphenyl)ethylamine
CID 7020761
cis-2-Aminoethyl-5-(2''-methoxy-5''-fluorophenyl)-tetrahydrofuran
CID 11506975
trans-2-Aminoethyl-5-(2''-methoxy-5''-fluorophenyl)-tetrahydrofuran
CID 44590644
p-(Cyclopentyloxy)-alpha-methylbenzylamine
CID 57947
Benzylamine, p-(heptyloxy)-alpha-methyl-
CID 60178
3-Methyl-1-(2-propoxyphenyl)butan-1-amine
CID 72040222
(3-Propoxyphenyl)methanamine hydrochloride
CID 21071540

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-fluoro-5-[(3S)-oxolan-3-yl]oxyphenyl]ethanamine?
The IUPAC name of (1S)-1-[2-fluoro-5-[(3S)-oxolan-3-yl]oxyphenyl]ethanamine (CID 169220677) is (1S)-1-[2-fluoro-5-[(3S)-oxolan-3-yl]oxyphenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-fluoro-5-[(3S)-oxolan-3-yl]oxyphenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-fluoro-5-[(3S)-oxolan-3-yl]oxyphenyl]ethanamine is C[C@H](N)c1cc(O[C@H]2CCOC2)ccc1F.
What is the InChIKey of (1S)-1-[2-fluoro-5-[(3S)-oxolan-3-yl]oxyphenyl]ethanamine?
The InChIKey is LVZXSNGGXDUXTN-WPRPVWTQSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-8(14)11-6-9(2-3-12(11)13)16-10-4-5-15-7-10/h2-3,6,8,10H,4-5,7,14H2,1H3/t8-,10-/m0/s1.
What are the key properties of (1S)-1-[2-fluoro-5-[(3S)-oxolan-3-yl]oxyphenyl]ethanamine?
(1S)-1-[2-fluoro-5-[(3S)-oxolan-3-yl]oxyphenyl]ethanamine has a molecular weight of 225.26 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-fluoro-5-[(3S)-oxolan-3-yl]oxyphenyl]ethanamine is sourced from PubChem (CID 169220677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).