2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyloxolan-2-yl)ethanamine

C15H21F2NO — CID 105412613

IUPAC2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyloxolan-2-yl)ethanamine
SMILESCCNC(Cc1cc(F)cc(F)c1)C1OCCC1C
InChIInChI=1S/C15H21F2NO/c1-3-18-14(15-10(2)4-5-19-15)8-11-6-12(16)9-13(17)7-11/h6-7,9-10,14-15,18H,3-5,8H2,1-2H3
InChIKeyWMZQJDVWDXUNMM-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.91
Rot. Bonds5

About 2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyloxolan-2-yl)ethanamine

2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyloxolan-2-yl)ethanamine (PubChem CID 105412613) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyloxolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyloxolan-2-yl)ethanamine
PubChem CID105412613
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyloxolan-2-yl)ethanamine
SMILESCCNC(Cc1cc(F)cc(F)c1)C1OCCC1C
InChIInChI=1S/C15H21F2NO/c1-3-18-14(15-10(2)4-5-19-15)8-11-6-12(16)9-13(17)7-11/h6-7,9-10,14-15,18H,3-5,8H2,1-2H3
InChIKeyWMZQJDVWDXUNMM-UHFFFAOYSA-N
XLogP2.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(4-fluorophenyl)-1-(3-methyloxolan-2-yl)ethanamine
CID 115786402
N-[2-(3-bromo-5-fluorophenyl)-1-(3-methyloxolan-2-yl)ethyl]propan-1-amine
CID 105015553
2-(3-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
CID 115795640
1-(7-bicyclo[4.1.0]heptanyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412597
N-ethyl-1-(3-methyloxolan-2-yl)-2-naphthalen-1-ylethanamine
CID 115838617
N-[2-(2,4-difluorophenyl)-1-(3-methyloxolan-2-yl)ethyl]propan-1-amine
CID 115824180
N-ethyl-1-(3-methyloxolan-2-yl)-3-phenylpropan-1-amine
CID 115794047
N-ethyl-1-(3-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012409
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 105015601
3-cyclopropyl-N-ethyl-1-(3-methyloxolan-2-yl)propan-1-amine
CID 104994998
N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(3-methyloxolan-2-yl)ethanamine
CID 105007607
N-ethyl-1-(3-methyloxolan-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 105000013

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyloxolan-2-yl)ethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyloxolan-2-yl)ethanamine (CID 105412613) is 2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyloxolan-2-yl)ethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyloxolan-2-yl)ethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyloxolan-2-yl)ethanamine is CCNC(Cc1cc(F)cc(F)c1)C1OCCC1C.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyloxolan-2-yl)ethanamine?
The InChIKey is WMZQJDVWDXUNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-3-18-14(15-10(2)4-5-19-15)8-11-6-12(16)9-13(17)7-11/h6-7,9-10,14-15,18H,3-5,8H2,1-2H3.
What are the key properties of 2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyloxolan-2-yl)ethanamine?
2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyloxolan-2-yl)ethanamine has a molecular weight of 269.33 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyloxolan-2-yl)ethanamine is sourced from PubChem (CID 105412613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).