N-[2-(2,6-difluorophenoxy)ethyl]-2-methoxyethanamine

C11H15F2NO2 — CID 81269641

IUPACN-[2-(2,6-difluorophenoxy)ethyl]-2-methoxyethanamine
SMILESCOCCNCCOc1c(F)cccc1F
InChIInChI=1S/C11H15F2NO2/c1-15-7-5-14-6-8-16-11-9(12)3-2-4-10(11)13/h2-4,14H,5-8H2,1H3
InChIKeyKKJYDKYZAKSMGX-UHFFFAOYSA-N
MW231.24 g/mol
LogP1.58
Rot. Bonds7

About N-[2-(2,6-difluorophenoxy)ethyl]-2-methoxyethanamine

N-[2-(2,6-difluorophenoxy)ethyl]-2-methoxyethanamine (PubChem CID 81269641) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is N-[2-(2,6-difluorophenoxy)ethyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[2-(2,6-difluorophenoxy)ethyl]-2-methoxyethanamine
PubChem CID81269641
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC NameN-[2-(2,6-difluorophenoxy)ethyl]-2-methoxyethanamine
SMILESCOCCNCCOc1c(F)cccc1F
InChIInChI=1S/C11H15F2NO2/c1-15-7-5-14-6-8-16-11-9(12)3-2-4-10(11)13/h2-4,14H,5-8H2,1H3
InChIKeyKKJYDKYZAKSMGX-UHFFFAOYSA-N
XLogP1.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,3-difluorophenoxy)ethyl]-2-methoxyethanamine
CID 63037352
2-(2,6-difluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine
CID 81270109
2-methoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]ethanamine
CID 103290282
3-(2,6-difluorophenoxy)-N-methylpropan-1-amine
CID 81269290
2-methoxy-N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]ethanamine
CID 55092755
N-[(3-fluoro-2-pentoxyphenyl)methyl]-2-methoxyethanamine
CID 112610863
3-(2,6-dimethoxyphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62571933
3-(2,6-dibromophenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62599508
2-(4-fluoroindol-1-yl)-N-(2-methoxyethyl)ethanamine
CID 82792809
N-[[3-fluoro-2-(2-methylsulfonylethoxy)phenyl]methyl]-2-methoxyethanamine
CID 115955370
2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile
CID 112610885
N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methoxyethanamine
CID 112610838

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluorophenoxy)ethyl]-2-methoxyethanamine?
The IUPAC name of N-[2-(2,6-difluorophenoxy)ethyl]-2-methoxyethanamine (CID 81269641) is N-[2-(2,6-difluorophenoxy)ethyl]-2-methoxyethanamine.
What is the SMILES notation for N-[2-(2,6-difluorophenoxy)ethyl]-2-methoxyethanamine?
The canonical SMILES for N-[2-(2,6-difluorophenoxy)ethyl]-2-methoxyethanamine is COCCNCCOc1c(F)cccc1F.
What is the InChIKey of N-[2-(2,6-difluorophenoxy)ethyl]-2-methoxyethanamine?
The InChIKey is KKJYDKYZAKSMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2/c1-15-7-5-14-6-8-16-11-9(12)3-2-4-10(11)13/h2-4,14H,5-8H2,1H3.
What are the key properties of N-[2-(2,6-difluorophenoxy)ethyl]-2-methoxyethanamine?
N-[2-(2,6-difluorophenoxy)ethyl]-2-methoxyethanamine has a molecular weight of 231.24 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluorophenoxy)ethyl]-2-methoxyethanamine is sourced from PubChem (CID 81269641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).