1,1,2,2-tetradeuterio-2-(3-methoxy-4-phenylmethoxyphenyl)ethanamine

C16H19NO2 — CID 131667709

IUPAC1,1,2,2-tetradeuterio-2-(3-methoxy-4-phenylmethoxyphenyl)ethanamine
SMILES[2H]C([2H])(N)C([2H])([2H])c1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C16H19NO2/c1-18-16-11-13(9-10-17)7-8-15(16)19-12-14-5-3-2-4-6-14/h2-8,11H,9-10,12,17H2,1H3/i9D2,10D2
InChIKeyGLMWLELOJCRYRI-YQUBHJMPSA-N
MW261.36 g/mol
LogP2.78
Rot. Bonds6

About 1,1,2,2-tetradeuterio-2-(3-methoxy-4-phenylmethoxyphenyl)ethanamine

1,1,2,2-tetradeuterio-2-(3-methoxy-4-phenylmethoxyphenyl)ethanamine (PubChem CID 131667709) has the molecular formula C16H19NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1,1,2,2-tetradeuterio-2-(3-methoxy-4-phenylmethoxyphenyl)ethanamine.

Molecular Properties

Compound Name1,1,2,2-tetradeuterio-2-(3-methoxy-4-phenylmethoxyphenyl)ethanamine
PubChem CID131667709
Molecular FormulaC16H19NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name1,1,2,2-tetradeuterio-2-(3-methoxy-4-phenylmethoxyphenyl)ethanamine
SMILES[2H]C([2H])(N)C([2H])([2H])c1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C16H19NO2/c1-18-16-11-13(9-10-17)7-8-15(16)19-12-14-5-3-2-4-6-14/h2-8,11H,9-10,12,17H2,1H3/i9D2,10D2
InChIKeyGLMWLELOJCRYRI-YQUBHJMPSA-N
XLogP2.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene
CID 11164050
3-methoxy-4-phenylmethoxyaniline
CID 27226
2-methoxy-4-(2-methoxyethyl)-1-phenylmethoxybenzene
CID 135032978
2-(3-methoxy-4-phenylmethoxyphenyl)ethylazanium chloride
CID 2752224
3-(3-methoxy-4-phenylmethoxyphenyl)propanamide
CID 18442581
bis[2-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]phenoxy] carbonate
CID 90151087
3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
CID 2752415
4-(2,2-dimethoxy-2-tritioethyl)-2-methoxy-1-phenylmethoxybenzene
CID 10780824
N,N'-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]butane-1,4-diamine
CID 57403137
3-amino-1-(3-methoxy-4-phenylmethoxyphenyl)propane-1,2-diol
CID 170829202
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetradeuterio-2-(3-methoxy-4-phenylmethoxyphenyl)ethanamine?
The IUPAC name of 1,1,2,2-tetradeuterio-2-(3-methoxy-4-phenylmethoxyphenyl)ethanamine (CID 131667709) is 1,1,2,2-tetradeuterio-2-(3-methoxy-4-phenylmethoxyphenyl)ethanamine.
What is the SMILES notation for 1,1,2,2-tetradeuterio-2-(3-methoxy-4-phenylmethoxyphenyl)ethanamine?
The canonical SMILES for 1,1,2,2-tetradeuterio-2-(3-methoxy-4-phenylmethoxyphenyl)ethanamine is [2H]C([2H])(N)C([2H])([2H])c1ccc(OCc2ccccc2)c(OC)c1.
What is the InChIKey of 1,1,2,2-tetradeuterio-2-(3-methoxy-4-phenylmethoxyphenyl)ethanamine?
The InChIKey is GLMWLELOJCRYRI-YQUBHJMPSA-N. The full InChI is InChI=1S/C16H19NO2/c1-18-16-11-13(9-10-17)7-8-15(16)19-12-14-5-3-2-4-6-14/h2-8,11H,9-10,12,17H2,1H3/i9D2,10D2.
What are the key properties of 1,1,2,2-tetradeuterio-2-(3-methoxy-4-phenylmethoxyphenyl)ethanamine?
1,1,2,2-tetradeuterio-2-(3-methoxy-4-phenylmethoxyphenyl)ethanamine has a molecular weight of 261.36 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetradeuterio-2-(3-methoxy-4-phenylmethoxyphenyl)ethanamine is sourced from PubChem (CID 131667709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).