2-[6-(methoxymethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(trideuteriomethoxy)aniline

C19H23NO3 — CID 178068998

IUPAC2-[6-(methoxymethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(trideuteriomethoxy)aniline
SMILES[2H]C([2H])([2H])Oc1ccc(C2CCc3cc(OCOC)ccc3C2)c(N)c1
InChIInChI=1S/C19H23NO3/c1-21-12-23-17-6-5-13-9-15(4-3-14(13)10-17)18-8-7-16(22-2)11-19(18)20/h5-8,10-11,15H,3-4,9,12,20H2,1-2H3/i2D3
InChIKeyHEYPYUSISVCUTD-BMSJAHLVSA-N
MW316.42 g/mol
LogP3.53
Rot. Bonds6

About 2-[6-(methoxymethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(trideuteriomethoxy)aniline

2-[6-(methoxymethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(trideuteriomethoxy)aniline (PubChem CID 178068998) has the molecular formula C19H23NO3 and a molecular weight of 316.42 g/mol. Its IUPAC name is 2-[6-(methoxymethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(trideuteriomethoxy)aniline.

Molecular Properties

Compound Name2-[6-(methoxymethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(trideuteriomethoxy)aniline
PubChem CID178068998
Molecular FormulaC19H23NO3
Molecular Weight316.42 g/mol
Exact Mass316.19
IUPAC Name2-[6-(methoxymethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(trideuteriomethoxy)aniline
SMILES[2H]C([2H])([2H])Oc1ccc(C2CCc3cc(OCOC)ccc3C2)c(N)c1
InChIInChI=1S/C19H23NO3/c1-21-12-23-17-6-5-13-9-15(4-3-14(13)10-17)18-8-7-16(22-2)11-19(18)20/h5-8,10-11,15H,3-4,9,12,20H2,1-2H3/i2D3
InChIKeyHEYPYUSISVCUTD-BMSJAHLVSA-N
XLogP3.53
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-6-(methoxymethoxy)-2-(4-methoxy-2-nitrophenyl)-1,2,3,4-tetrahydronaphthalene
CID 178068546
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)aniline
CID 23087188
6-methoxy-2-(4-methoxy-2-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 58035843
N-ethyl-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(pyridin-2-ylmethyl)aniline
CID 66626931
[4-ethyl-3-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-2-pyridinyl]methanamine
CID 66626932
N-(diphosphanyl)-5-methoxy-2-(6-phosphanyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)aniline
CID 164775901
(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 15718592
N-ethyl-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(pyridin-3-ylmethyl)aniline
CID 66627111
4-(methoxymethoxy)-2-methylaniline
CID 14883323
N-ethyl-5-methoxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)aniline
CID 177365057
[(2R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]hydrazine
CID 124537599
N-[2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-methoxyphenyl]acetamide
CID 154681620

Frequently Asked Questions

What is the IUPAC name of 2-[6-(methoxymethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(trideuteriomethoxy)aniline?
The IUPAC name of 2-[6-(methoxymethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(trideuteriomethoxy)aniline (CID 178068998) is 2-[6-(methoxymethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(trideuteriomethoxy)aniline.
What is the SMILES notation for 2-[6-(methoxymethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(trideuteriomethoxy)aniline?
The canonical SMILES for 2-[6-(methoxymethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(trideuteriomethoxy)aniline is [2H]C([2H])([2H])Oc1ccc(C2CCc3cc(OCOC)ccc3C2)c(N)c1.
What is the InChIKey of 2-[6-(methoxymethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(trideuteriomethoxy)aniline?
The InChIKey is HEYPYUSISVCUTD-BMSJAHLVSA-N. The full InChI is InChI=1S/C19H23NO3/c1-21-12-23-17-6-5-13-9-15(4-3-14(13)10-17)18-8-7-16(22-2)11-19(18)20/h5-8,10-11,15H,3-4,9,12,20H2,1-2H3/i2D3.
What are the key properties of 2-[6-(methoxymethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(trideuteriomethoxy)aniline?
2-[6-(methoxymethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(trideuteriomethoxy)aniline has a molecular weight of 316.42 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(methoxymethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(trideuteriomethoxy)aniline is sourced from PubChem (CID 178068998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).