2-[4-fluoro-2,5-bis(trideuteriomethoxy)phenyl]ethanamine

C10H14FNO2 — CID 169440593

IUPAC2-[4-fluoro-2,5-bis(trideuteriomethoxy)phenyl]ethanamine
SMILES[2H]C([2H])([2H])Oc1cc(CCN)c(OC([2H])([2H])[2H])cc1F
InChIInChI=1S/C10H14FNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3/i1D3,2D3
InChIKeyQAVFEDRVOUKIPM-WFGJKAKNSA-N
MW205.26 g/mol
LogP1.34
Rot. Bonds6

About 2-[4-fluoro-2,5-bis(trideuteriomethoxy)phenyl]ethanamine

2-[4-fluoro-2,5-bis(trideuteriomethoxy)phenyl]ethanamine (PubChem CID 169440593) has the molecular formula C10H14FNO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-[4-fluoro-2,5-bis(trideuteriomethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-fluoro-2,5-bis(trideuteriomethoxy)phenyl]ethanamine
PubChem CID169440593
Molecular FormulaC10H14FNO2
Molecular Weight205.26 g/mol
Exact Mass205.14
IUPAC Name2-[4-fluoro-2,5-bis(trideuteriomethoxy)phenyl]ethanamine
SMILES[2H]C([2H])([2H])Oc1cc(CCN)c(OC([2H])([2H])[2H])cc1F
InChIInChI=1S/C10H14FNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3/i1D3,2D3
InChIKeyQAVFEDRVOUKIPM-WFGJKAKNSA-N
XLogP1.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine
CID 71493307
2-[2,5-bis(trideuteriomethoxy)-4-(trifluoromethyl)phenyl]ethanamine
CID 169149369
2,5-bis(2-aminoethyl)-4-methoxyphenol
CID 117274744
2-(5-fluoro-2-methoxy-4-methylphenyl)ethanamine
CID 55254656
2-(4-chloro-5-fluoro-2-methoxyphenyl)ethanamine
CID 83881713
2-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]ethanamine
CID 57498513
2-(2-ethoxy-4,5-difluorophenyl)ethanamine
CID 83880849
2-(4-fluoro-2-methoxyphenyl)ethanamine
CID 55254856
2-[3,4-bis(trideuteriomethoxy)phenyl]ethanamine
CID 54765058
2-[4-(2-fluoroethyldisulfanyl)-2,5-dimethoxyphenyl]ethanamine
CID 171534578
2-(5-methoxy-1-benzothiophen-6-yl)ethanamine
CID 96590249
2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)ethanamine
CID 15915366

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2,5-bis(trideuteriomethoxy)phenyl]ethanamine?
The IUPAC name of 2-[4-fluoro-2,5-bis(trideuteriomethoxy)phenyl]ethanamine (CID 169440593) is 2-[4-fluoro-2,5-bis(trideuteriomethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[4-fluoro-2,5-bis(trideuteriomethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[4-fluoro-2,5-bis(trideuteriomethoxy)phenyl]ethanamine is [2H]C([2H])([2H])Oc1cc(CCN)c(OC([2H])([2H])[2H])cc1F.
What is the InChIKey of 2-[4-fluoro-2,5-bis(trideuteriomethoxy)phenyl]ethanamine?
The InChIKey is QAVFEDRVOUKIPM-WFGJKAKNSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3/i1D3,2D3.
What are the key properties of 2-[4-fluoro-2,5-bis(trideuteriomethoxy)phenyl]ethanamine?
2-[4-fluoro-2,5-bis(trideuteriomethoxy)phenyl]ethanamine has a molecular weight of 205.26 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2,5-bis(trideuteriomethoxy)phenyl]ethanamine is sourced from PubChem (CID 169440593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).