2-chloro-N-(deuteriomethyl)-N-(trideuteriomethyl)ethanamine

C4H10ClN — CID 71776709

IUPAC2-chloro-N-(deuteriomethyl)-N-(trideuteriomethyl)ethanamine
SMILES[2H]CN(CCCl)C([2H])([2H])[2H]
InChIInChI=1S/C4H10ClN/c1-6(2)4-3-5/h3-4H2,1-2H3/i1D,2D3
InChIKeyWQMAANNAZKNUDL-BMQYTIHCSA-N
MW111.61 g/mol
LogP0.79
Rot. Bonds4

About 2-chloro-N-(deuteriomethyl)-N-(trideuteriomethyl)ethanamine

2-chloro-N-(deuteriomethyl)-N-(trideuteriomethyl)ethanamine (PubChem CID 71776709) has the molecular formula C4H10ClN and a molecular weight of 111.61 g/mol. Its IUPAC name is 2-chloro-N-(deuteriomethyl)-N-(trideuteriomethyl)ethanamine.

Molecular Properties

Compound Name2-chloro-N-(deuteriomethyl)-N-(trideuteriomethyl)ethanamine
PubChem CID71776709
Molecular FormulaC4H10ClN
Molecular Weight111.61 g/mol
Exact Mass111.08
IUPAC Name2-chloro-N-(deuteriomethyl)-N-(trideuteriomethyl)ethanamine
SMILES[2H]CN(CCCl)C([2H])([2H])[2H]
InChIInChI=1S/C4H10ClN/c1-6(2)4-3-5/h3-4H2,1-2H3/i1D,2D3
InChIKeyWQMAANNAZKNUDL-BMQYTIHCSA-N
XLogP0.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.61
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N,N-dimethylethanamine;3-chloro-N,N-dimethylpropan-1-amine;dihydrochloride
CID 19917203
2-chloro-N,N-dimethylethanamine;N,N',N'-trimethylethane-1,2-diamine;hydrochloride
CID 160877292
2-chloro-N-(2-chloroethyl)-N-methylethanamine;hydron;chloride
CID 53350389
12-chloro-N,N-dimethyldodecan-1-amine
CID 71338336
2-chloro-N-(2-chloroethyl)-N-methylethanamine;dichloronickel(1+);trihydrate
CID 6333402
2-chloro-N-ethyl-N-methylethanamine;propane
CID 143204321
2-chloro-N,N-diethylethanamine;hypochlorous acid
CID 19898497
N-benzyl-1,1,1-trideuteriomethanamine;N'-benzyl-N,N,N'-trimethylethane-1,2-diamine;2-chloro-N,N-dimethylethanamine;hydrochloride
CID 160584812
1-[bis(trideuteriomethyl)amino]propan-2-ol
CID 121487893
1,1-dideuterio-N,2,2-trimethyl-N-(trideuteriomethyl)propan-1-amine
CID 171606573
2-chloro-1,1,2,2-tetradeuterio-N-(dideuteriomethyl)-N-methylethanamine
CID 131698788
N-(2-chloroethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 61378109

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(deuteriomethyl)-N-(trideuteriomethyl)ethanamine?
The IUPAC name of 2-chloro-N-(deuteriomethyl)-N-(trideuteriomethyl)ethanamine (CID 71776709) is 2-chloro-N-(deuteriomethyl)-N-(trideuteriomethyl)ethanamine.
What is the SMILES notation for 2-chloro-N-(deuteriomethyl)-N-(trideuteriomethyl)ethanamine?
The canonical SMILES for 2-chloro-N-(deuteriomethyl)-N-(trideuteriomethyl)ethanamine is [2H]CN(CCCl)C([2H])([2H])[2H].
What is the InChIKey of 2-chloro-N-(deuteriomethyl)-N-(trideuteriomethyl)ethanamine?
The InChIKey is WQMAANNAZKNUDL-BMQYTIHCSA-N. The full InChI is InChI=1S/C4H10ClN/c1-6(2)4-3-5/h3-4H2,1-2H3/i1D,2D3.
What are the key properties of 2-chloro-N-(deuteriomethyl)-N-(trideuteriomethyl)ethanamine?
2-chloro-N-(deuteriomethyl)-N-(trideuteriomethyl)ethanamine has a molecular weight of 111.61 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(deuteriomethyl)-N-(trideuteriomethyl)ethanamine is sourced from PubChem (CID 71776709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).