2-amino-1-[4-(trideuteriomethyl)phenyl]ethanone;hydrochloride

C9H12ClNO — CID 71313244

IUPAC2-amino-1-[4-(trideuteriomethyl)phenyl]ethanone;hydrochloride
SMILESCl.[2H]C([2H])([2H])c1ccc(C(=O)CN)cc1
InChIInChI=1S/C9H11NO.ClH/c1-7-2-4-8(5-3-7)9(11)6-10;/h2-5H,6,10H2,1H3;1H/i1D3;
InChIKeyIHWOUORJQZGRRF-NIIDSAIPSA-N
MW188.67 g/mol
LogP1.56
Rot. Bonds3

About 2-amino-1-[4-(trideuteriomethyl)phenyl]ethanone;hydrochloride

2-amino-1-[4-(trideuteriomethyl)phenyl]ethanone;hydrochloride (PubChem CID 71313244) has the molecular formula C9H12ClNO and a molecular weight of 188.67 g/mol. Its IUPAC name is 2-amino-1-[4-(trideuteriomethyl)phenyl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-(trideuteriomethyl)phenyl]ethanone;hydrochloride
PubChem CID71313244
Molecular FormulaC9H12ClNO
Molecular Weight188.67 g/mol
Exact Mass188.08
IUPAC Name2-amino-1-[4-(trideuteriomethyl)phenyl]ethanone;hydrochloride
SMILESCl.[2H]C([2H])([2H])c1ccc(C(=O)CN)cc1
InChIInChI=1S/C9H11NO.ClH/c1-7-2-4-8(5-3-7)9(11)6-10;/h2-5H,6,10H2,1H3;1H/i1D3;
InChIKeyIHWOUORJQZGRRF-NIIDSAIPSA-N
XLogP1.56
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.67
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(4-hydroxyphenyl)ethanone;dihydrochloride
CID 131675810
2-amino-1-(4-chlorophenyl)ethanone;hydrochloride
CID 2798211
2-amino-1-(4-ethylphenyl)ethanone
CID 19427259
2-amino-1-(4-methylsulfonylphenyl)ethanone
CID 2763582
2-amino-1-(4-butoxyphenyl)ethanone;hydrochloride
CID 173461436
2-amino-1-(4-propoxyphenyl)ethanone;hydrochloride
CID 50988222
2-amino-1-(4-hydrazinylphenyl)ethanone
CID 174286763
2-amino-1-(4-nitrosophenyl)ethanone
CID 149398034
4-[4-(2-aminoacetyl)phenyl]benzoic acid
CID 170860582
[4-(2-aminoacetyl)phenyl]methyl-trimethylazanium bromide
CID 170860760
1-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 118703223
2-amino-1-(4-chlorophenyl)ethanone;chlorobenzene
CID 174473009

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(trideuteriomethyl)phenyl]ethanone;hydrochloride?
The IUPAC name of 2-amino-1-[4-(trideuteriomethyl)phenyl]ethanone;hydrochloride (CID 71313244) is 2-amino-1-[4-(trideuteriomethyl)phenyl]ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-[4-(trideuteriomethyl)phenyl]ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-[4-(trideuteriomethyl)phenyl]ethanone;hydrochloride is Cl.[2H]C([2H])([2H])c1ccc(C(=O)CN)cc1.
What is the InChIKey of 2-amino-1-[4-(trideuteriomethyl)phenyl]ethanone;hydrochloride?
The InChIKey is IHWOUORJQZGRRF-NIIDSAIPSA-N. The full InChI is InChI=1S/C9H11NO.ClH/c1-7-2-4-8(5-3-7)9(11)6-10;/h2-5H,6,10H2,1H3;1H/i1D3;.
What are the key properties of 2-amino-1-[4-(trideuteriomethyl)phenyl]ethanone;hydrochloride?
2-amino-1-[4-(trideuteriomethyl)phenyl]ethanone;hydrochloride has a molecular weight of 188.67 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(trideuteriomethyl)phenyl]ethanone;hydrochloride is sourced from PubChem (CID 71313244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).