N-ethyl-2-(2-fluorophenyl)-2-(oxan-2-ylmethoxy)ethanamine

C16H24FNO2 — CID 62108277

IUPACN-ethyl-2-(2-fluorophenyl)-2-(oxan-2-ylmethoxy)ethanamine
SMILESCCNCC(OCC1CCCCO1)c1ccccc1F
InChIInChI=1S/C16H24FNO2/c1-2-18-11-16(14-8-3-4-9-15(14)17)20-12-13-7-5-6-10-19-13/h3-4,8-9,13,16,18H,2,5-7,10-12H2,1H3
InChIKeyRNAJBNRXZMRUKN-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.06
Rot. Bonds7

About N-ethyl-2-(2-fluorophenyl)-2-(oxan-2-ylmethoxy)ethanamine

N-ethyl-2-(2-fluorophenyl)-2-(oxan-2-ylmethoxy)ethanamine (PubChem CID 62108277) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is N-ethyl-2-(2-fluorophenyl)-2-(oxan-2-ylmethoxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-fluorophenyl)-2-(oxan-2-ylmethoxy)ethanamine
PubChem CID62108277
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC NameN-ethyl-2-(2-fluorophenyl)-2-(oxan-2-ylmethoxy)ethanamine
SMILESCCNCC(OCC1CCCCO1)c1ccccc1F
InChIInChI=1S/C16H24FNO2/c1-2-18-11-16(14-8-3-4-9-15(14)17)20-12-13-7-5-6-10-19-13/h3-4,8-9,13,16,18H,2,5-7,10-12H2,1H3
InChIKeyRNAJBNRXZMRUKN-UHFFFAOYSA-N
XLogP3.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)-N-ethyl-2-(oxolan-2-ylmethoxy)ethanamine
CID 62107604
2-(4-chlorophenyl)-N-ethyl-2-(oxan-2-ylmethoxy)ethanamine
CID 62106135
2-(2-cyclopropylethoxy)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 114157889
2-methyl-N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]propan-1-amine
CID 62445664
N-ethyl-1-(2-fluorophenyl)-3-(oxan-2-yl)propan-1-amine
CID 115827795
N-ethyl-2-(2-fluorophenyl)-2-pentoxyethanamine
CID 55036773
N-[2-(4-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine
CID 62107771
1-(2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 115828162
N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]cyclopropanamine
CID 62107918
1-(2-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine
CID 45283434
N-ethyl-2-(2-methoxyphenyl)-2-(oxan-4-ylmethoxy)ethanamine
CID 62382212
2-(2-fluorophenyl)-N-methyl-2-(oxolan-3-ylmethoxy)ethanamine
CID 62110742

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-fluorophenyl)-2-(oxan-2-ylmethoxy)ethanamine?
The IUPAC name of N-ethyl-2-(2-fluorophenyl)-2-(oxan-2-ylmethoxy)ethanamine (CID 62108277) is N-ethyl-2-(2-fluorophenyl)-2-(oxan-2-ylmethoxy)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-fluorophenyl)-2-(oxan-2-ylmethoxy)ethanamine?
The canonical SMILES for N-ethyl-2-(2-fluorophenyl)-2-(oxan-2-ylmethoxy)ethanamine is CCNCC(OCC1CCCCO1)c1ccccc1F.
What is the InChIKey of N-ethyl-2-(2-fluorophenyl)-2-(oxan-2-ylmethoxy)ethanamine?
The InChIKey is RNAJBNRXZMRUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-2-18-11-16(14-8-3-4-9-15(14)17)20-12-13-7-5-6-10-19-13/h3-4,8-9,13,16,18H,2,5-7,10-12H2,1H3.
What are the key properties of N-ethyl-2-(2-fluorophenyl)-2-(oxan-2-ylmethoxy)ethanamine?
N-ethyl-2-(2-fluorophenyl)-2-(oxan-2-ylmethoxy)ethanamine has a molecular weight of 281.37 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-fluorophenyl)-2-(oxan-2-ylmethoxy)ethanamine is sourced from PubChem (CID 62108277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).