N-benzyl-1-phenyl-N-(trideuteriomethyl)propan-2-amine;hydrochloride

C17H22ClN — CID 71313724

IUPACN-benzyl-1-phenyl-N-(trideuteriomethyl)propan-2-amine;hydrochloride
SMILESCl.[2H]C([2H])([2H])N(Cc1ccccc1)C(C)Cc1ccccc1
InChIInChI=1S/C17H21N.ClH/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17;/h3-12,15H,13-14H2,1-2H3;1H/i2D3;
InChIKeyANFSNXAXVLRZCG-MUTAZJQDSA-N
MW278.84 g/mol
LogP4.17
Rot. Bonds6

About N-benzyl-1-phenyl-N-(trideuteriomethyl)propan-2-amine;hydrochloride

N-benzyl-1-phenyl-N-(trideuteriomethyl)propan-2-amine;hydrochloride (PubChem CID 71313724) has the molecular formula C17H22ClN and a molecular weight of 278.84 g/mol. Its IUPAC name is N-benzyl-1-phenyl-N-(trideuteriomethyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-benzyl-1-phenyl-N-(trideuteriomethyl)propan-2-amine;hydrochloride
PubChem CID71313724
Molecular FormulaC17H22ClN
Molecular Weight278.84 g/mol
Exact Mass278.16
IUPAC NameN-benzyl-1-phenyl-N-(trideuteriomethyl)propan-2-amine;hydrochloride
SMILESCl.[2H]C([2H])([2H])N(Cc1ccccc1)C(C)Cc1ccccc1
InChIInChI=1S/C17H21N.ClH/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17;/h3-12,15H,13-14H2,1-2H3;1H/i2D3;
InChIKeyANFSNXAXVLRZCG-MUTAZJQDSA-N
XLogP4.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.84
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-N-methyl-1-phenylpropan-2-amine
CID 2341
1-benzyl-1-(1-phenylpropan-2-yl)hydrazine
CID 174361933
bis(1,1-dideuterio-N-methyl-N-[(2R)-1-phenylpropan-2-yl]prop-2-yn-1-amine);hydrochloride
CID 159530490
(2R)-N-bromo-N-methyl-1-phenylpropan-2-amine
CID 87517815
N-benzyl-N-methylbutan-2-amine
CID 15496809
N-methyl-1-phenyl-N-(3-phenylpropyl)propan-2-amine;hydrochloride
CID 158918700
(2R)-N-bromo-N-chloro-1-phenylpropan-2-amine
CID 90999480
N-bromo-N-chloro-1-phenylpropan-2-amine
CID 143939583
N,N-diethyl-1-phenylpropan-2-amine
CID 521361
1,1-dideuterio-N-[(2R)-1-phenylpropan-2-yl]-N-(trideuteriomethyl)prop-2-yn-1-amine;1,1-dideuterioprop-2-yn-1-ol;(2R)-1-phenyl-N-(trideuteriomethyl)propan-2-amine
CID 159451749
4-[2-[benzyl(ethyl)amino]propyl]aniline
CID 82255967
(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine
CID 87223086

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-phenyl-N-(trideuteriomethyl)propan-2-amine;hydrochloride?
The IUPAC name of N-benzyl-1-phenyl-N-(trideuteriomethyl)propan-2-amine;hydrochloride (CID 71313724) is N-benzyl-1-phenyl-N-(trideuteriomethyl)propan-2-amine;hydrochloride.
What is the SMILES notation for N-benzyl-1-phenyl-N-(trideuteriomethyl)propan-2-amine;hydrochloride?
The canonical SMILES for N-benzyl-1-phenyl-N-(trideuteriomethyl)propan-2-amine;hydrochloride is Cl.[2H]C([2H])([2H])N(Cc1ccccc1)C(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-1-phenyl-N-(trideuteriomethyl)propan-2-amine;hydrochloride?
The InChIKey is ANFSNXAXVLRZCG-MUTAZJQDSA-N. The full InChI is InChI=1S/C17H21N.ClH/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17;/h3-12,15H,13-14H2,1-2H3;1H/i2D3;.
What are the key properties of N-benzyl-1-phenyl-N-(trideuteriomethyl)propan-2-amine;hydrochloride?
N-benzyl-1-phenyl-N-(trideuteriomethyl)propan-2-amine;hydrochloride has a molecular weight of 278.84 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-phenyl-N-(trideuteriomethyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 71313724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).