N,N,1,1,2,2-hexadeuterio-2-(2,5-dimethoxyphenyl)ethanamine

C10H15NO2 — CID 71777141

IUPACN,N,1,1,2,2-hexadeuterio-2-(2,5-dimethoxyphenyl)ethanamine
SMILES[2H]N([2H])C([2H])([2H])C([2H])([2H])c1cc(OC)ccc1OC
InChIInChI=1S/C10H15NO2/c1-12-9-3-4-10(13-2)8(7-9)5-6-11/h3-4,7H,5-6,11H2,1-2H3/i5D2,6D2/hD2
InChIKeyWNCUVUUEJZEATP-JGYJCWKTSA-N
MW187.27 g/mol
LogP1.21
Rot. Bonds5

About N,N,1,1,2,2-hexadeuterio-2-(2,5-dimethoxyphenyl)ethanamine

N,N,1,1,2,2-hexadeuterio-2-(2,5-dimethoxyphenyl)ethanamine (PubChem CID 71777141) has the molecular formula C10H15NO2 and a molecular weight of 187.27 g/mol. Its IUPAC name is N,N,1,1,2,2-hexadeuterio-2-(2,5-dimethoxyphenyl)ethanamine.

Molecular Properties

Compound NameN,N,1,1,2,2-hexadeuterio-2-(2,5-dimethoxyphenyl)ethanamine
PubChem CID71777141
Molecular FormulaC10H15NO2
Molecular Weight187.27 g/mol
Exact Mass187.15
IUPAC NameN,N,1,1,2,2-hexadeuterio-2-(2,5-dimethoxyphenyl)ethanamine
SMILES[2H]N([2H])C([2H])([2H])C([2H])([2H])c1cc(OC)ccc1OC
InChIInChI=1S/C10H15NO2/c1-12-9-3-4-10(13-2)8(7-9)5-6-11/h3-4,7H,5-6,11H2,1-2H3/i5D2,6D2/hD2
InChIKeyWNCUVUUEJZEATP-JGYJCWKTSA-N
XLogP1.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

1,4-dimethoxy-2-(nitrosomethyl)benzene
CID 143996904
2-(ethoxymethyl)-1,4-dimethoxybenzene
CID 12068886
2-[2-[2-[2-[(2,5-dimethoxyphenyl)methoxy]ethoxy]ethoxy]ethoxymethyl]-1,4-dimethoxybenzene
CID 15109386
2-(2-bromo-2-methylpropyl)-1,4-dimethoxybenzene
CID 82255120
2-(2,5-dimethoxyphenyl)-N-methoxyacetamide
CID 78829398
1-(2,5-dimethoxyphenyl)-4-methylpentan-2-amine
CID 62755079
4-(2,5-dimethoxyphenyl)-3,3-dimethylbutan-1-amine
CID 94264025
2-(3-fluoropropyl)-1,4-dimethoxybenzene
CID 83938230
2-(2,5-dimethoxyphenyl)ethyl carbamate
CID 175601601
N-[(2,5-dimethoxyphenyl)methyl]butan-2-amine
CID 43177332
1-(2,5-dimethoxyphenyl)pentan-2-amine
CID 82255255
2-[(2,5-dimethoxyphenyl)methyl]butan-1-ol
CID 116930738

Frequently Asked Questions

What is the IUPAC name of N,N,1,1,2,2-hexadeuterio-2-(2,5-dimethoxyphenyl)ethanamine?
The IUPAC name of N,N,1,1,2,2-hexadeuterio-2-(2,5-dimethoxyphenyl)ethanamine (CID 71777141) is N,N,1,1,2,2-hexadeuterio-2-(2,5-dimethoxyphenyl)ethanamine.
What is the SMILES notation for N,N,1,1,2,2-hexadeuterio-2-(2,5-dimethoxyphenyl)ethanamine?
The canonical SMILES for N,N,1,1,2,2-hexadeuterio-2-(2,5-dimethoxyphenyl)ethanamine is [2H]N([2H])C([2H])([2H])C([2H])([2H])c1cc(OC)ccc1OC.
What is the InChIKey of N,N,1,1,2,2-hexadeuterio-2-(2,5-dimethoxyphenyl)ethanamine?
The InChIKey is WNCUVUUEJZEATP-JGYJCWKTSA-N. The full InChI is InChI=1S/C10H15NO2/c1-12-9-3-4-10(13-2)8(7-9)5-6-11/h3-4,7H,5-6,11H2,1-2H3/i5D2,6D2/hD2.
What are the key properties of N,N,1,1,2,2-hexadeuterio-2-(2,5-dimethoxyphenyl)ethanamine?
N,N,1,1,2,2-hexadeuterio-2-(2,5-dimethoxyphenyl)ethanamine has a molecular weight of 187.27 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,1,2,2-hexadeuterio-2-(2,5-dimethoxyphenyl)ethanamine is sourced from PubChem (CID 71777141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).