1-(2-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine

C13H18FNO2 — CID 45283434

IUPAC1-(2-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine
SMILESNC(COCC1CCCO1)c1ccccc1F
InChIInChI=1S/C13H18FNO2/c14-12-6-2-1-5-11(12)13(15)9-16-8-10-4-3-7-17-10/h1-2,5-6,10,13H,3-4,7-9,15H2
InChIKeyMKOXEFWMWYNBIA-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.02
Rot. Bonds5

About 1-(2-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine

1-(2-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine (PubChem CID 45283434) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine
PubChem CID45283434
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name1-(2-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine
SMILESNC(COCC1CCCO1)c1ccccc1F
InChIInChI=1S/C13H18FNO2/c14-12-6-2-1-5-11(12)13(15)9-16-8-10-4-3-7-17-10/h1-2,5-6,10,13H,3-4,7-9,15H2
InChIKeyMKOXEFWMWYNBIA-UHFFFAOYSA-N
XLogP2.02
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine
CID 45283478
(1S)-1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-amine
CID 78932149
2-(oxolan-2-ylmethoxy)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43183834
1-[(2-fluorophenyl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60633304
1-(4-tert-butylphenyl)-2-(oxolan-2-ylmethoxy)ethanamine
CID 43184181
2-cycloheptyloxy-1-(2-fluorophenyl)ethanamine
CID 114058365
1-ethyl-2-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111408053
N-ethyl-2-(2-fluorophenyl)-2-(oxan-2-ylmethoxy)ethanamine
CID 62108277
1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine
CID 43184286
1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 81364457
2-[[(2S)-oxolan-2-yl]methoxymethyl]benzenethiol
CID 97294081
1-(2-bromoanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60896835

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine?
The IUPAC name of 1-(2-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine (CID 45283434) is 1-(2-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine?
The canonical SMILES for 1-(2-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine is NC(COCC1CCCO1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine?
The InChIKey is MKOXEFWMWYNBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c14-12-6-2-1-5-11(12)13(15)9-16-8-10-4-3-7-17-10/h1-2,5-6,10,13H,3-4,7-9,15H2.
What are the key properties of 1-(2-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine?
1-(2-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine has a molecular weight of 239.29 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine is sourced from PubChem (CID 45283434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).