2-methyl-1-(2,3,4,5,6-pentadeuteriophenyl)propan-2-amine;hydrochloride

C10H16ClN — CID 71751592

IUPAC2-methyl-1-(2,3,4,5,6-pentadeuteriophenyl)propan-2-amine;hydrochloride
SMILESCl.[2H]c1c([2H])c([2H])c(CC(C)(C)N)c([2H])c1[2H]
InChIInChI=1S/C10H15N.ClH/c1-10(2,11)8-9-6-4-3-5-7-9;/h3-7H,8,11H2,1-2H3;1H/i3D,4D,5D,6D,7D;
InChIKeyNCAIGTHBQTXTLR-BQAHAFBHSA-N
MW190.73 g/mol
LogP2.39
Rot. Bonds2

About 2-methyl-1-(2,3,4,5,6-pentadeuteriophenyl)propan-2-amine;hydrochloride

2-methyl-1-(2,3,4,5,6-pentadeuteriophenyl)propan-2-amine;hydrochloride (PubChem CID 71751592) has the molecular formula C10H16ClN and a molecular weight of 190.73 g/mol. Its IUPAC name is 2-methyl-1-(2,3,4,5,6-pentadeuteriophenyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-1-(2,3,4,5,6-pentadeuteriophenyl)propan-2-amine;hydrochloride
PubChem CID71751592
Molecular FormulaC10H16ClN
Molecular Weight190.73 g/mol
Exact Mass190.13
IUPAC Name2-methyl-1-(2,3,4,5,6-pentadeuteriophenyl)propan-2-amine;hydrochloride
SMILESCl.[2H]c1c([2H])c([2H])c(CC(C)(C)N)c([2H])c1[2H]
InChIInChI=1S/C10H15N.ClH/c1-10(2,11)8-9-6-4-3-5-7-9;/h3-7H,8,11H2,1-2H3;1H/i3D,4D,5D,6D,7D;
InChIKeyNCAIGTHBQTXTLR-BQAHAFBHSA-N
XLogP2.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.73
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,3,4,5,6-pentadeuteriophenyl)propan-2-amine;hydrochloride?
The IUPAC name of 2-methyl-1-(2,3,4,5,6-pentadeuteriophenyl)propan-2-amine;hydrochloride (CID 71751592) is 2-methyl-1-(2,3,4,5,6-pentadeuteriophenyl)propan-2-amine;hydrochloride.
What is the SMILES notation for 2-methyl-1-(2,3,4,5,6-pentadeuteriophenyl)propan-2-amine;hydrochloride?
The canonical SMILES for 2-methyl-1-(2,3,4,5,6-pentadeuteriophenyl)propan-2-amine;hydrochloride is Cl.[2H]c1c([2H])c([2H])c(CC(C)(C)N)c([2H])c1[2H].
What is the InChIKey of 2-methyl-1-(2,3,4,5,6-pentadeuteriophenyl)propan-2-amine;hydrochloride?
The InChIKey is NCAIGTHBQTXTLR-BQAHAFBHSA-N. The full InChI is InChI=1S/C10H15N.ClH/c1-10(2,11)8-9-6-4-3-5-7-9;/h3-7H,8,11H2,1-2H3;1H/i3D,4D,5D,6D,7D;.
What are the key properties of 2-methyl-1-(2,3,4,5,6-pentadeuteriophenyl)propan-2-amine;hydrochloride?
2-methyl-1-(2,3,4,5,6-pentadeuteriophenyl)propan-2-amine;hydrochloride has a molecular weight of 190.73 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,3,4,5,6-pentadeuteriophenyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 71751592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).