2-(2,5-difluorophenyl)-1-(3-methyloxan-4-yl)ethanamine

C14H19F2NO — CID 114241906

IUPAC2-(2,5-difluorophenyl)-1-(3-methyloxan-4-yl)ethanamine
SMILESCC1COCCC1C(N)Cc1cc(F)ccc1F
InChIInChI=1S/C14H19F2NO/c1-9-8-18-5-4-12(9)14(17)7-10-6-11(15)2-3-13(10)16/h2-3,6,9,12,14H,4-5,7-8,17H2,1H3
InChIKeyVYIGTEWFQRGBQT-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.51
Rot. Bonds3

About 2-(2,5-difluorophenyl)-1-(3-methyloxan-4-yl)ethanamine

2-(2,5-difluorophenyl)-1-(3-methyloxan-4-yl)ethanamine (PubChem CID 114241906) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-(3-methyloxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-(3-methyloxan-4-yl)ethanamine
PubChem CID114241906
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name2-(2,5-difluorophenyl)-1-(3-methyloxan-4-yl)ethanamine
SMILESCC1COCCC1C(N)Cc1cc(F)ccc1F
InChIInChI=1S/C14H19F2NO/c1-9-8-18-5-4-12(9)14(17)7-10-6-11(15)2-3-13(10)16/h2-3,6,9,12,14H,4-5,7-8,17H2,1H3
InChIKeyVYIGTEWFQRGBQT-UHFFFAOYSA-N
XLogP2.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-2-methylphenyl)-1-(3-methyloxan-4-yl)ethanamine
CID 114242009
2-(2,5-difluorophenyl)-1-(2-ethyloxolan-3-yl)ethanamine
CID 114104181
2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)ethanamine
CID 65350986
1-cyclobutyl-2-(2,5-difluorophenyl)ethanamine
CID 64986442
2-(2-bromo-5-fluorophenyl)-1-(oxolan-3-yl)ethanamine
CID 65330516
[2-(2,5-difluorophenyl)-1-(2-methylcyclopentyl)ethyl]hydrazine
CID 107193433
2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine
CID 107188247
2-(2-chloro-4-fluorophenyl)-1-(2-methyloxolan-3-yl)ethanamine
CID 115840656
2-(2,5-difluorophenyl)-1-pyrrolidin-2-ylethanamine
CID 173158939
2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
CID 65352627
N-[2-(2,5-difluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine
CID 107187960
1-(2,4-difluorophenyl)-3-(oxolan-3-yl)propan-2-amine
CID 103986773

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-(3-methyloxan-4-yl)ethanamine?
The IUPAC name of 2-(2,5-difluorophenyl)-1-(3-methyloxan-4-yl)ethanamine (CID 114241906) is 2-(2,5-difluorophenyl)-1-(3-methyloxan-4-yl)ethanamine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-(3-methyloxan-4-yl)ethanamine?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-(3-methyloxan-4-yl)ethanamine is CC1COCCC1C(N)Cc1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-(3-methyloxan-4-yl)ethanamine?
The InChIKey is VYIGTEWFQRGBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-9-8-18-5-4-12(9)14(17)7-10-6-11(15)2-3-13(10)16/h2-3,6,9,12,14H,4-5,7-8,17H2,1H3.
What are the key properties of 2-(2,5-difluorophenyl)-1-(3-methyloxan-4-yl)ethanamine?
2-(2,5-difluorophenyl)-1-(3-methyloxan-4-yl)ethanamine has a molecular weight of 255.31 g/mol, XLogP of 2.51, 3 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-(3-methyloxan-4-yl)ethanamine is sourced from PubChem (CID 114241906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).