3-(2-methylphenoxy)-3-phenyl-N-(trideuteriomethyl)propan-1-amine;hydrochloride

C17H22ClNO — CID 146156685

IUPAC3-(2-methylphenoxy)-3-phenyl-N-(trideuteriomethyl)propan-1-amine;hydrochloride
SMILESCl.[2H]C([2H])([2H])NCCC(Oc1ccccc1C)c1ccccc1
InChIInChI=1S/C17H21NO.ClH/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15;/h3-11,17-18H,12-13H2,1-2H3;1H/i2D3;
InChIKeyLUCXVPAZUDVVBT-MUTAZJQDSA-N
MW294.84 g/mol
LogP4.15
Rot. Bonds7

About 3-(2-methylphenoxy)-3-phenyl-N-(trideuteriomethyl)propan-1-amine;hydrochloride

3-(2-methylphenoxy)-3-phenyl-N-(trideuteriomethyl)propan-1-amine;hydrochloride (PubChem CID 146156685) has the molecular formula C17H22ClNO and a molecular weight of 294.84 g/mol. Its IUPAC name is 3-(2-methylphenoxy)-3-phenyl-N-(trideuteriomethyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(2-methylphenoxy)-3-phenyl-N-(trideuteriomethyl)propan-1-amine;hydrochloride
PubChem CID146156685
Molecular FormulaC17H22ClNO
Molecular Weight294.84 g/mol
Exact Mass294.16
IUPAC Name3-(2-methylphenoxy)-3-phenyl-N-(trideuteriomethyl)propan-1-amine;hydrochloride
SMILESCl.[2H]C([2H])([2H])NCCC(Oc1ccccc1C)c1ccccc1
InChIInChI=1S/C17H21NO.ClH/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15;/h3-11,17-18H,12-13H2,1-2H3;1H/i2D3;
InChIKeyLUCXVPAZUDVVBT-MUTAZJQDSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.84
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid
CID 11609891
1-(3-chloro-1-phenylpropoxy)-2-methylbenzene
CID 14054163
N-methyl-3-phenyl-3-(2,3,4,5-tetradeuterio-6-methylphenoxy)propan-1-amine;hydrochloride
CID 87836979
(3R)-N-methyl-3-phenyl-3-[2,3,4,5-tetradeuterio-6-(trideuteriomethyl)phenoxy]propan-1-amine;hydrochloride
CID 87836929
N-[3-(2-methylphenoxy)-3-phenylpropyl]propanamide
CID 90685594
methanamine;1-methyl-2-(1-phenylpropoxy)benzene;hydrochloride
CID 175100899
tert-butyl N-[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]carbamate
CID 169443071
hydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride
CID 74765078
1-methyl-2-[(1R)-3-nitro-1-phenylpropoxy]benzene
CID 102389343
3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine
CID 19102986
(3R)-3-(2-iodo-4-methylphenoxy)-N-methyl-3-phenylpropan-1-amine;hydrochloride
CID 45262226
3-deuterio-3-phenyl-3-(2,3,4,5-tetradeuterio-6-methylphenoxy)-N-(trideuteriomethyl)propan-1-amine;1,1-dideuterio-3-phenyl-3-(2,3,4,5-tetradeuterio-6-methylphenoxy)-N-(trideuteriomethyl)propan-1-amine;2,2-dideuterio-3-phenyl-3-(2,3,4,5-tetradeuterio-6-methylphenoxy)-N-(trideuteriomethyl)propan-1-amine;3-phenyl-3-(2,3,4,5-tetradeuterio-6-methylphenoxy)-N-(trideuteriomethyl)propan-1-amine;1,1,2,2-tetradeuterio-3-phenyl-3-(2,3,4,5-tetradeuterio-6-methylphenoxy)-N-(trideuteriomethyl)propan-1-amine
CID 159573374

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenoxy)-3-phenyl-N-(trideuteriomethyl)propan-1-amine;hydrochloride?
The IUPAC name of 3-(2-methylphenoxy)-3-phenyl-N-(trideuteriomethyl)propan-1-amine;hydrochloride (CID 146156685) is 3-(2-methylphenoxy)-3-phenyl-N-(trideuteriomethyl)propan-1-amine;hydrochloride.
What is the SMILES notation for 3-(2-methylphenoxy)-3-phenyl-N-(trideuteriomethyl)propan-1-amine;hydrochloride?
The canonical SMILES for 3-(2-methylphenoxy)-3-phenyl-N-(trideuteriomethyl)propan-1-amine;hydrochloride is Cl.[2H]C([2H])([2H])NCCC(Oc1ccccc1C)c1ccccc1.
What is the InChIKey of 3-(2-methylphenoxy)-3-phenyl-N-(trideuteriomethyl)propan-1-amine;hydrochloride?
The InChIKey is LUCXVPAZUDVVBT-MUTAZJQDSA-N. The full InChI is InChI=1S/C17H21NO.ClH/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15;/h3-11,17-18H,12-13H2,1-2H3;1H/i2D3;.
What are the key properties of 3-(2-methylphenoxy)-3-phenyl-N-(trideuteriomethyl)propan-1-amine;hydrochloride?
3-(2-methylphenoxy)-3-phenyl-N-(trideuteriomethyl)propan-1-amine;hydrochloride has a molecular weight of 294.84 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenoxy)-3-phenyl-N-(trideuteriomethyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 146156685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).