methane;1,1,2,2-tetradeuterio-2-(4-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine

C14H22N2O — CID 163558839

IUPACmethane;1,1,2,2-tetradeuterio-2-(4-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine
SMILESC.[2H]C([2H])(c1c[nH]c2cccc(OC)c12)C([2H])([2H])N(C)C
InChIInChI=1S/C13H18N2O.CH4/c1-15(2)8-7-10-9-14-11-5-4-6-12(16-3)13(10)11;/h4-6,9,14H,7-8H2,1-3H3;1H4/i7D2,8D2;
InChIKeyFPLDTFJOKDQDAE-UVSTZUAESA-N
MW238.37 g/mol
LogP2.92
Rot. Bonds4

About methane;1,1,2,2-tetradeuterio-2-(4-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine

methane;1,1,2,2-tetradeuterio-2-(4-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine (PubChem CID 163558839) has the molecular formula C14H22N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is methane;1,1,2,2-tetradeuterio-2-(4-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Namemethane;1,1,2,2-tetradeuterio-2-(4-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine
PubChem CID163558839
Molecular FormulaC14H22N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Namemethane;1,1,2,2-tetradeuterio-2-(4-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine
SMILESC.[2H]C([2H])(c1c[nH]c2cccc(OC)c12)C([2H])([2H])N(C)C
InChIInChI=1S/C13H18N2O.CH4/c1-15(2)8-7-10-9-14-11-5-4-6-12(16-3)13(10)11;/h4-6,9,14H,7-8H2,1-3H3;1H4/i7D2,8D2;
InChIKeyFPLDTFJOKDQDAE-UVSTZUAESA-N
XLogP2.92
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze methane;1,1,2,2-tetradeuterio-2-(4-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine with MolForge

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Related Compounds

[3-[1,1,2,2-tetradeuterio-2-(dimethylamino)ethyl]-1H-indol-4-yl] hydrogen phosphate
CID 168744315
[3-[1,2,2-trideuterio-2-(dimethylamino)ethyl]-1H-indol-4-yl] acetate
CID 164780401
3-(2-ethylselanylethyl)-4-methoxy-1H-indole
CID 167475252
N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 132988764
N,N-dimethyl-2-(4-propan-2-yloxy-1H-indol-3-yl)ethanamine
CID 131852240
3-[[2-(4-methoxy-1H-indol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid
CID 120524391
[3-[1,2-dideuterio-2-(dimethylamino)ethyl]-1H-indol-4-yl] acetate
CID 164780395
[3-[2-deuterio-2-(dimethylamino)ethyl]-1H-indol-4-yl] acetate
CID 164700571
3-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-indol-4-ol
CID 71748984
3-fluoro-4-methoxy-1H-indole
CID 162696038
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 3,3,4,4-tetradeuterio-4-(dimethylamino)-2-methylbutanoate
CID 176651508
N-(1-hydroxybutan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110005854

Frequently Asked Questions

What is the IUPAC name of methane;1,1,2,2-tetradeuterio-2-(4-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine?
The IUPAC name of methane;1,1,2,2-tetradeuterio-2-(4-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine (CID 163558839) is methane;1,1,2,2-tetradeuterio-2-(4-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine.
What is the SMILES notation for methane;1,1,2,2-tetradeuterio-2-(4-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine?
The canonical SMILES for methane;1,1,2,2-tetradeuterio-2-(4-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine is C.[2H]C([2H])(c1c[nH]c2cccc(OC)c12)C([2H])([2H])N(C)C.
What is the InChIKey of methane;1,1,2,2-tetradeuterio-2-(4-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine?
The InChIKey is FPLDTFJOKDQDAE-UVSTZUAESA-N. The full InChI is InChI=1S/C13H18N2O.CH4/c1-15(2)8-7-10-9-14-11-5-4-6-12(16-3)13(10)11;/h4-6,9,14H,7-8H2,1-3H3;1H4/i7D2,8D2;.
What are the key properties of methane;1,1,2,2-tetradeuterio-2-(4-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine?
methane;1,1,2,2-tetradeuterio-2-(4-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine has a molecular weight of 238.37 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1,1,2,2-tetradeuterio-2-(4-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 163558839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).