2,2-dideuterio-N,N-dimethyl-2-(2,3,4,5,6-pentadeuteriophenyl)-1-phenylethanamine

C16H19N — CID 76974312

IUPAC2,2-dideuterio-N,N-dimethyl-2-(2,3,4,5,6-pentadeuteriophenyl)-1-phenylethanamine
SMILES[2H]c1c([2H])c([2H])c(C([2H])([2H])C(c2ccccc2)N(C)C)c([2H])c1[2H]
InChIInChI=1S/C16H19N/c1-17(2)16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12,16H,13H2,1-2H3/i3D,5D,6D,9D,10D,13D2
InChIKeyYEJZJVJJPVZXGX-IRWJWAKBSA-N
MW232.38 g/mol
LogP3.53
Rot. Bonds4

About 2,2-dideuterio-N,N-dimethyl-2-(2,3,4,5,6-pentadeuteriophenyl)-1-phenylethanamine

2,2-dideuterio-N,N-dimethyl-2-(2,3,4,5,6-pentadeuteriophenyl)-1-phenylethanamine (PubChem CID 76974312) has the molecular formula C16H19N and a molecular weight of 232.38 g/mol. Its IUPAC name is 2,2-dideuterio-N,N-dimethyl-2-(2,3,4,5,6-pentadeuteriophenyl)-1-phenylethanamine.

Molecular Properties

Compound Name2,2-dideuterio-N,N-dimethyl-2-(2,3,4,5,6-pentadeuteriophenyl)-1-phenylethanamine
PubChem CID76974312
Molecular FormulaC16H19N
Molecular Weight232.38 g/mol
Exact Mass232.20
IUPAC Name2,2-dideuterio-N,N-dimethyl-2-(2,3,4,5,6-pentadeuteriophenyl)-1-phenylethanamine
SMILES[2H]c1c([2H])c([2H])c(C([2H])([2H])C(c2ccccc2)N(C)C)c([2H])c1[2H]
InChIInChI=1S/C16H19N/c1-17(2)16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12,16H,13H2,1-2H3/i3D,5D,6D,9D,10D,13D2
InChIKeyYEJZJVJJPVZXGX-IRWJWAKBSA-N
XLogP3.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.38
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(dimethylamino)-2-phenylethanol
CID 10888273
N,N-dimethyl-1-phenylpropan-1-amine;ethane
CID 144553481
(1S)-N,N,N',N'-tetramethyl-1-phenylethane-1,2-diamine
CID 134927015
(1S)-3-chloro-N,N-dimethyl-1-phenylpropan-1-amine
CID 141341786
4-[2-(dimethylamino)-2-phenylethyl]aniline;dihydrochloride
CID 24847056
N,N'-dimethyl-N,N',1,3-tetraphenylpropane-1,3-diamine
CID 20668858
4-(dimethylamino)-4-phenylbutanenitrile
CID 116910022
N,N-dimethyl-1-phenylheptan-1-amine
CID 67220027
N,N-dimethyl-2-[(2,3,4,5,6-pentadeuteriophenyl)-phenylmethoxy]ethanamine;hydrochloride
CID 76974743
N,N-dimethyl-1-phenylheptadecan-1-amine;hydrobromide
CID 173082134
N,N-dimethyl-1-phenylnonan-1-amine;hydrochloride
CID 173276058
(R)-(2,3,4,5,6-pentadeuteriophenyl)-phenylmethanol
CID 10261907

Frequently Asked Questions

What is the IUPAC name of 2,2-dideuterio-N,N-dimethyl-2-(2,3,4,5,6-pentadeuteriophenyl)-1-phenylethanamine?
The IUPAC name of 2,2-dideuterio-N,N-dimethyl-2-(2,3,4,5,6-pentadeuteriophenyl)-1-phenylethanamine (CID 76974312) is 2,2-dideuterio-N,N-dimethyl-2-(2,3,4,5,6-pentadeuteriophenyl)-1-phenylethanamine.
What is the SMILES notation for 2,2-dideuterio-N,N-dimethyl-2-(2,3,4,5,6-pentadeuteriophenyl)-1-phenylethanamine?
The canonical SMILES for 2,2-dideuterio-N,N-dimethyl-2-(2,3,4,5,6-pentadeuteriophenyl)-1-phenylethanamine is [2H]c1c([2H])c([2H])c(C([2H])([2H])C(c2ccccc2)N(C)C)c([2H])c1[2H].
What is the InChIKey of 2,2-dideuterio-N,N-dimethyl-2-(2,3,4,5,6-pentadeuteriophenyl)-1-phenylethanamine?
The InChIKey is YEJZJVJJPVZXGX-IRWJWAKBSA-N. The full InChI is InChI=1S/C16H19N/c1-17(2)16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12,16H,13H2,1-2H3/i3D,5D,6D,9D,10D,13D2.
What are the key properties of 2,2-dideuterio-N,N-dimethyl-2-(2,3,4,5,6-pentadeuteriophenyl)-1-phenylethanamine?
2,2-dideuterio-N,N-dimethyl-2-(2,3,4,5,6-pentadeuteriophenyl)-1-phenylethanamine has a molecular weight of 232.38 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dideuterio-N,N-dimethyl-2-(2,3,4,5,6-pentadeuteriophenyl)-1-phenylethanamine is sourced from PubChem (CID 76974312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).