2-(2,5-difluorophenyl)-1-(2-ethyloxolan-3-yl)ethanamine

C14H19F2NO — CID 114104181

IUPAC2-(2,5-difluorophenyl)-1-(2-ethyloxolan-3-yl)ethanamine
SMILESCCC1OCCC1C(N)Cc1cc(F)ccc1F
InChIInChI=1S/C14H19F2NO/c1-2-14-11(5-6-18-14)13(17)8-9-7-10(15)3-4-12(9)16/h3-4,7,11,13-14H,2,5-6,8,17H2,1H3
InChIKeySMQQPBANIVJBSQ-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.65
Rot. Bonds4

About 2-(2,5-difluorophenyl)-1-(2-ethyloxolan-3-yl)ethanamine

2-(2,5-difluorophenyl)-1-(2-ethyloxolan-3-yl)ethanamine (PubChem CID 114104181) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-(2-ethyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-(2-ethyloxolan-3-yl)ethanamine
PubChem CID114104181
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name2-(2,5-difluorophenyl)-1-(2-ethyloxolan-3-yl)ethanamine
SMILESCCC1OCCC1C(N)Cc1cc(F)ccc1F
InChIInChI=1S/C14H19F2NO/c1-2-14-11(5-6-18-14)13(17)8-9-7-10(15)3-4-12(9)16/h3-4,7,11,13-14H,2,5-6,8,17H2,1H3
InChIKeySMQQPBANIVJBSQ-UHFFFAOYSA-N
XLogP2.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorophenyl)-1-(3-methyloxan-4-yl)ethanamine
CID 114241906
1-cyclobutyl-2-(2,5-difluorophenyl)ethanamine
CID 64986442
2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)ethanamine
CID 65350986
2-(2-chloro-4-fluorophenyl)-1-(2-methyloxolan-3-yl)ethanamine
CID 115840656
2-(2,5-difluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 115809974
2-(5-bromo-3-pyridinyl)-1-(2-ethyloxolan-3-yl)ethanamine
CID 114104510
2-(5-fluoro-2-methylphenyl)-1-(3-methyloxan-4-yl)ethanamine
CID 114242009
2-(2,5-difluorophenyl)-1-pyrrolidin-2-ylethanamine
CID 173158939
[2-(2,5-dichlorophenyl)-1-(2-ethyloxolan-3-yl)ethyl]hydrazine
CID 114104820
1-(2,5-difluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol
CID 103547378
(1R)-1-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(2,5-difluorophenyl)ethanamine
CID 59009391
1-cycloheptyl-2-(2,5-difluorophenyl)-N-methylethanamine
CID 65399564

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-(2-ethyloxolan-3-yl)ethanamine?
The IUPAC name of 2-(2,5-difluorophenyl)-1-(2-ethyloxolan-3-yl)ethanamine (CID 114104181) is 2-(2,5-difluorophenyl)-1-(2-ethyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-(2-ethyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-(2-ethyloxolan-3-yl)ethanamine is CCC1OCCC1C(N)Cc1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-(2-ethyloxolan-3-yl)ethanamine?
The InChIKey is SMQQPBANIVJBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-2-14-11(5-6-18-14)13(17)8-9-7-10(15)3-4-12(9)16/h3-4,7,11,13-14H,2,5-6,8,17H2,1H3.
What are the key properties of 2-(2,5-difluorophenyl)-1-(2-ethyloxolan-3-yl)ethanamine?
2-(2,5-difluorophenyl)-1-(2-ethyloxolan-3-yl)ethanamine has a molecular weight of 255.31 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-1-(2-ethyloxolan-3-yl)ethanamine is sourced from PubChem (CID 114104181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).