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

C13H18FNO2 — CID 170236415

IUPAC(1S)-1-[2-fluoro-5-[(3R)-5-methyloxolan-3-yl]oxyphenyl]ethanamine
SMILESCC1C[C@@H](Oc2ccc(F)c([C@H](C)N)c2)CO1
InChIInChI=1S/C13H18FNO2/c1-8-5-11(7-16-8)17-10-3-4-13(14)12(6-10)9(2)15/h3-4,6,8-9,11H,5,7,15H2,1-2H3/t8?,9-,11+/m0/s1
InChIKeyUWMIADWQLIBIQC-CAWIPBJDSA-N
MW239.29 g/mol
LogP2.40
Rot. Bonds3

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

(1S)-1-[2-fluoro-5-[(3R)-5-methyloxolan-3-yl]oxyphenyl]ethanamine (PubChem CID 170236415) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is (1S)-1-[2-fluoro-5-[(3R)-5-methyloxolan-3-yl]oxyphenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-fluoro-5-[(3R)-5-methyloxolan-3-yl]oxyphenyl]ethanamine
PubChem CID170236415
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name(1S)-1-[2-fluoro-5-[(3R)-5-methyloxolan-3-yl]oxyphenyl]ethanamine
SMILESCC1C[C@@H](Oc2ccc(F)c([C@H](C)N)c2)CO1
InChIInChI=1S/C13H18FNO2/c1-8-5-11(7-16-8)17-10-3-4-13(14)12(6-10)9(2)15/h3-4,6,8-9,11H,5,7,15H2,1-2H3/t8?,9-,11+/m0/s1
InChIKeyUWMIADWQLIBIQC-CAWIPBJDSA-N
XLogP2.40
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.40
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-[(3R)-5-methyloxolan-3-yl]oxyphenyl]ethanamine?
The IUPAC name of (1S)-1-[2-fluoro-5-[(3R)-5-methyloxolan-3-yl]oxyphenyl]ethanamine (CID 170236415) is (1S)-1-[2-fluoro-5-[(3R)-5-methyloxolan-3-yl]oxyphenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-fluoro-5-[(3R)-5-methyloxolan-3-yl]oxyphenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-fluoro-5-[(3R)-5-methyloxolan-3-yl]oxyphenyl]ethanamine is CC1C[C@@H](Oc2ccc(F)c([C@H](C)N)c2)CO1.
What is the InChIKey of (1S)-1-[2-fluoro-5-[(3R)-5-methyloxolan-3-yl]oxyphenyl]ethanamine?
The InChIKey is UWMIADWQLIBIQC-CAWIPBJDSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-8-5-11(7-16-8)17-10-3-4-13(14)12(6-10)9(2)15/h3-4,6,8-9,11H,5,7,15H2,1-2H3/t8?,9-,11+/m0/s1.
What are the key properties of (1S)-1-[2-fluoro-5-[(3R)-5-methyloxolan-3-yl]oxyphenyl]ethanamine?
(1S)-1-[2-fluoro-5-[(3R)-5-methyloxolan-3-yl]oxyphenyl]ethanamine has a molecular weight of 239.29 g/mol, XLogP of 2.40, 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-[(3R)-5-methyloxolan-3-yl]oxyphenyl]ethanamine is sourced from PubChem (CID 170236415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).