N-benzyl-1,1,1,2,3,3-hexadeuterio-3-phenylpropan-2-amine

C16H19N — CID 71751168

IUPACN-benzyl-1,1,1,2,3,3-hexadeuterio-3-phenylpropan-2-amine
SMILES[2H]C([2H])([2H])C([2H])(NCc1ccccc1)C([2H])([2H])c1ccccc1
InChIInChI=1S/C16H19N/c1-14(12-15-8-4-2-5-9-15)17-13-16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3/i1D3,12D2,14D
InChIKeyJLCDKDGHTWGGQM-JCKIRYGESA-N
MW231.37 g/mol
LogP3.41
Rot. Bonds6

About N-benzyl-1,1,1,2,3,3-hexadeuterio-3-phenylpropan-2-amine

N-benzyl-1,1,1,2,3,3-hexadeuterio-3-phenylpropan-2-amine (PubChem CID 71751168) has the molecular formula C16H19N and a molecular weight of 231.37 g/mol. Its IUPAC name is N-benzyl-1,1,1,2,3,3-hexadeuterio-3-phenylpropan-2-amine.

Molecular Properties

Compound NameN-benzyl-1,1,1,2,3,3-hexadeuterio-3-phenylpropan-2-amine
PubChem CID71751168
Molecular FormulaC16H19N
Molecular Weight231.37 g/mol
Exact Mass231.19
IUPAC NameN-benzyl-1,1,1,2,3,3-hexadeuterio-3-phenylpropan-2-amine
SMILES[2H]C([2H])([2H])C([2H])(NCc1ccccc1)C([2H])([2H])c1ccccc1
InChIInChI=1S/C16H19N/c1-14(12-15-8-4-2-5-9-15)17-13-16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3/i1D3,12D2,14D
InChIKeyJLCDKDGHTWGGQM-JCKIRYGESA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 155272409
N-benzyl-1-isocyanoethanamine
CID 21050847
(1,1-dideuterio-2-methylpropyl)benzene
CID 169068031
N-benzyl-1-silylethanamine
CID 173405128
1,2-dideuterio-1-phenyl-N-(trideuteriomethyl)propan-2-amine
CID 71308404
N-benzyl-2,2-dimethylpentan-3-amine
CID 11206526
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
N-benzylpropan-2-amine;propan-2-yloxybenzene
CID 169144448
(2R,3R)-N-benzyl-3-phenylbutan-2-amine
CID 101198951
N-benzyl-5-methylhexan-2-amine
CID 43177530
(2S,3S)-N-benzyl-3-methylpentan-2-amine
CID 28611874
(2R)-2-(benzylamino)propanenitrile
CID 28702462

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,1,1,2,3,3-hexadeuterio-3-phenylpropan-2-amine?
The IUPAC name of N-benzyl-1,1,1,2,3,3-hexadeuterio-3-phenylpropan-2-amine (CID 71751168) is N-benzyl-1,1,1,2,3,3-hexadeuterio-3-phenylpropan-2-amine.
What is the SMILES notation for N-benzyl-1,1,1,2,3,3-hexadeuterio-3-phenylpropan-2-amine?
The canonical SMILES for N-benzyl-1,1,1,2,3,3-hexadeuterio-3-phenylpropan-2-amine is [2H]C([2H])([2H])C([2H])(NCc1ccccc1)C([2H])([2H])c1ccccc1.
What is the InChIKey of N-benzyl-1,1,1,2,3,3-hexadeuterio-3-phenylpropan-2-amine?
The InChIKey is JLCDKDGHTWGGQM-JCKIRYGESA-N. The full InChI is InChI=1S/C16H19N/c1-14(12-15-8-4-2-5-9-15)17-13-16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3/i1D3,12D2,14D.
What are the key properties of N-benzyl-1,1,1,2,3,3-hexadeuterio-3-phenylpropan-2-amine?
N-benzyl-1,1,1,2,3,3-hexadeuterio-3-phenylpropan-2-amine has a molecular weight of 231.37 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,1,1,2,3,3-hexadeuterio-3-phenylpropan-2-amine is sourced from PubChem (CID 71751168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).