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

C14H19F2NO — CID 80684873

IUPAC2-(2,5-difluorophenyl)-1-(2-methyloxan-2-yl)ethanamine
SMILESCC1(C(N)Cc2cc(F)ccc2F)CCCCO1
InChIInChI=1S/C14H19F2NO/c1-14(6-2-3-7-18-14)13(17)9-10-8-11(15)4-5-12(10)16/h4-5,8,13H,2-3,6-7,9,17H2,1H3
InChIKeyAYPBBPBWUVZVRM-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.79
Rot. Bonds3

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

2-(2,5-difluorophenyl)-1-(2-methyloxan-2-yl)ethanamine (PubChem CID 80684873) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-(2-methyloxan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-(2-methyloxan-2-yl)ethanamine
PubChem CID80684873
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name2-(2,5-difluorophenyl)-1-(2-methyloxan-2-yl)ethanamine
SMILESCC1(C(N)Cc2cc(F)ccc2F)CCCCO1
InChIInChI=1S/C14H19F2NO/c1-14(6-2-3-7-18-14)13(17)9-10-8-11(15)4-5-12(10)16/h4-5,8,13H,2-3,6-7,9,17H2,1H3
InChIKeyAYPBBPBWUVZVRM-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-5-fluorophenyl)-1-(2-methyloxan-2-yl)ethanol
CID 80684366
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine
CID 80684942
2-(2-bromo-5-fluorophenyl)-1-(1-methylcyclopentyl)ethanamine
CID 115843507
1-(2-methyloxan-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 80683608
[2-(4-chloro-2-fluorophenyl)-1-(2-methyloxan-2-yl)ethyl]hydrazine
CID 105256152
(4-chloro-2-fluorophenyl)-(2-methyloxan-2-yl)methanamine
CID 80684717
[2-(2,5-difluorophenyl)-1-(1-methoxycyclopentyl)ethyl]hydrazine
CID 105268629
[2-(2,5-difluorophenyl)-1-(4-ethoxyoxan-4-yl)ethyl]hydrazine
CID 105276798
2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanamine
CID 80685196
2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine
CID 102619155
1-[1-amino-2-(5-bromo-2-fluorophenyl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79063733
[(5-fluoro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methyl]hydrazine
CID 105256316

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-(2-methyloxan-2-yl)ethanamine?
The IUPAC name of 2-(2,5-difluorophenyl)-1-(2-methyloxan-2-yl)ethanamine (CID 80684873) is 2-(2,5-difluorophenyl)-1-(2-methyloxan-2-yl)ethanamine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-(2-methyloxan-2-yl)ethanamine?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-(2-methyloxan-2-yl)ethanamine is CC1(C(N)Cc2cc(F)ccc2F)CCCCO1.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-(2-methyloxan-2-yl)ethanamine?
The InChIKey is AYPBBPBWUVZVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-14(6-2-3-7-18-14)13(17)9-10-8-11(15)4-5-12(10)16/h4-5,8,13H,2-3,6-7,9,17H2,1H3.
What are the key properties of 2-(2,5-difluorophenyl)-1-(2-methyloxan-2-yl)ethanamine?
2-(2,5-difluorophenyl)-1-(2-methyloxan-2-yl)ethanamine has a molecular weight of 255.31 g/mol, XLogP of 2.79, 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-(2-methyloxan-2-yl)ethanamine is sourced from PubChem (CID 80684873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).