2-[3,4-bis(trideuteriomethoxy)phenyl]ethanamine

C10H15NO2 — CID 54765058

IUPAC2-[3,4-bis(trideuteriomethoxy)phenyl]ethanamine
SMILES[2H]C([2H])([2H])Oc1ccc(CCN)cc1OC([2H])([2H])[2H]
InChIInChI=1S/C10H15NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6,11H2,1-2H3/i1D3,2D3
InChIKeyANOUKFYBOAKOIR-WFGJKAKNSA-N
MW187.27 g/mol
LogP1.21
Rot. Bonds6

About 2-[3,4-bis(trideuteriomethoxy)phenyl]ethanamine

2-[3,4-bis(trideuteriomethoxy)phenyl]ethanamine (PubChem CID 54765058) has the molecular formula C10H15NO2 and a molecular weight of 187.27 g/mol. Its IUPAC name is 2-[3,4-bis(trideuteriomethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3,4-bis(trideuteriomethoxy)phenyl]ethanamine
PubChem CID54765058
Molecular FormulaC10H15NO2
Molecular Weight187.27 g/mol
Exact Mass187.15
IUPAC Name2-[3,4-bis(trideuteriomethoxy)phenyl]ethanamine
SMILES[2H]C([2H])([2H])Oc1ccc(CCN)cc1OC([2H])([2H])[2H]
InChIInChI=1S/C10H15NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6,11H2,1-2H3/i1D3,2D3
InChIKeyANOUKFYBOAKOIR-WFGJKAKNSA-N
XLogP1.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
[4-(2-aminoethyl)-2-methoxyphenyl] carbamate
CID 173379178
N-[2-[3,4-bis(trideuteriomethoxy)phenyl]ethyl]formamide
CID 54765059
2-(3-methoxy-4-methylphenyl)ethanamine
CID 13015320
4-(2-aminoethyl)-2-methoxyaniline;dihydrochloride
CID 122360118
2-[4-(4-chlorophenoxy)-3-methoxyphenyl]ethanamine
CID 118338803
2-[5-(2-aminoethyl)-2-methoxyphenoxy]acetonitrile
CID 60904745
2-(4-methoxy-3-pentoxyphenyl)ethanamine
CID 11096640
2-(4-methoxy-3-octoxyphenyl)ethanamine
CID 60905213
2-[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]ethanamine
CID 54958248
2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine;propane
CID 145237576

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(trideuteriomethoxy)phenyl]ethanamine?
The IUPAC name of 2-[3,4-bis(trideuteriomethoxy)phenyl]ethanamine (CID 54765058) is 2-[3,4-bis(trideuteriomethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3,4-bis(trideuteriomethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3,4-bis(trideuteriomethoxy)phenyl]ethanamine is [2H]C([2H])([2H])Oc1ccc(CCN)cc1OC([2H])([2H])[2H].
What is the InChIKey of 2-[3,4-bis(trideuteriomethoxy)phenyl]ethanamine?
The InChIKey is ANOUKFYBOAKOIR-WFGJKAKNSA-N. The full InChI is InChI=1S/C10H15NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6,11H2,1-2H3/i1D3,2D3.
What are the key properties of 2-[3,4-bis(trideuteriomethoxy)phenyl]ethanamine?
2-[3,4-bis(trideuteriomethoxy)phenyl]ethanamine has a molecular weight of 187.27 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(trideuteriomethoxy)phenyl]ethanamine is sourced from PubChem (CID 54765058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).