3-[2-[benzyl(trideuteriomethyl)amino]-1-hydroxyethyl]phenol

C16H19NO2 — CID 71313919

IUPAC3-[2-[benzyl(trideuteriomethyl)amino]-1-hydroxyethyl]phenol
SMILES[2H]C([2H])([2H])N(Cc1ccccc1)CC(O)c1cccc(O)c1
InChIInChI=1S/C16H19NO2/c1-17(11-13-6-3-2-4-7-13)12-16(19)14-8-5-9-15(18)10-14/h2-10,16,18-19H,11-12H2,1H3/i1D3
InChIKeyJBBZPOHBHNEKIM-FIBGUPNXSA-N
MW260.35 g/mol
LogP2.56
Rot. Bonds6

About 3-[2-[benzyl(trideuteriomethyl)amino]-1-hydroxyethyl]phenol

3-[2-[benzyl(trideuteriomethyl)amino]-1-hydroxyethyl]phenol (PubChem CID 71313919) has the molecular formula C16H19NO2 and a molecular weight of 260.35 g/mol. Its IUPAC name is 3-[2-[benzyl(trideuteriomethyl)amino]-1-hydroxyethyl]phenol.

Molecular Properties

Compound Name3-[2-[benzyl(trideuteriomethyl)amino]-1-hydroxyethyl]phenol
PubChem CID71313919
Molecular FormulaC16H19NO2
Molecular Weight260.35 g/mol
Exact Mass260.16
IUPAC Name3-[2-[benzyl(trideuteriomethyl)amino]-1-hydroxyethyl]phenol
SMILES[2H]C([2H])([2H])N(Cc1ccccc1)CC(O)c1cccc(O)c1
InChIInChI=1S/C16H19NO2/c1-17(11-13-6-3-2-4-7-13)12-16(19)14-8-5-9-15(18)10-14/h2-10,16,18-19H,11-12H2,1H3/i1D3
InChIKeyJBBZPOHBHNEKIM-FIBGUPNXSA-N
XLogP2.56
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2-[benzyl(methyl)amino]-1-(3-iodophenyl)ethanol
CID 92857425
4-[2-[benzyl(methyl)amino]-1-hydroxyethyl]benzene-1,2-diol
CID 22005903
[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methylcarbamic acid
CID 67420413
2-[benzyl(methyl)amino]-1-(3-nitrophenyl)ethanol
CID 3116031
4-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methylamino]-1-[4-(hydroxymethyl)phenyl]butane-1,3-diol
CID 4096712
(2S)-2-[[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methylamino]butanedioic acid
CID 71428843
3-[(2R,3R)-1-(dibenzylamino)-2-methylpentan-3-yl]phenol
CID 118204770
3-[(1R)-1-hydroxy-2-(trideuterio(113C)methylamino)ethyl]phenol
CID 76973806
2-[benzyl(methyl)amino]-1-phenylethanol;2-[benzyl(methyl)amino]-2-phenylethanol
CID 110192818
3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol
CID 22070428
3-[1-[2-aminoethyl(benzyl)amino]ethyl]phenol
CID 106511324
(1R)-2-[methyl-[[3-(morpholin-4-ylmethyl)phenyl]methyl]amino]-1-phenylethanol
CID 129457730

Frequently Asked Questions

What is the IUPAC name of 3-[2-[benzyl(trideuteriomethyl)amino]-1-hydroxyethyl]phenol?
The IUPAC name of 3-[2-[benzyl(trideuteriomethyl)amino]-1-hydroxyethyl]phenol (CID 71313919) is 3-[2-[benzyl(trideuteriomethyl)amino]-1-hydroxyethyl]phenol.
What is the SMILES notation for 3-[2-[benzyl(trideuteriomethyl)amino]-1-hydroxyethyl]phenol?
The canonical SMILES for 3-[2-[benzyl(trideuteriomethyl)amino]-1-hydroxyethyl]phenol is [2H]C([2H])([2H])N(Cc1ccccc1)CC(O)c1cccc(O)c1.
What is the InChIKey of 3-[2-[benzyl(trideuteriomethyl)amino]-1-hydroxyethyl]phenol?
The InChIKey is JBBZPOHBHNEKIM-FIBGUPNXSA-N. The full InChI is InChI=1S/C16H19NO2/c1-17(11-13-6-3-2-4-7-13)12-16(19)14-8-5-9-15(18)10-14/h2-10,16,18-19H,11-12H2,1H3/i1D3.
What are the key properties of 3-[2-[benzyl(trideuteriomethyl)amino]-1-hydroxyethyl]phenol?
3-[2-[benzyl(trideuteriomethyl)amino]-1-hydroxyethyl]phenol has a molecular weight of 260.35 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[benzyl(trideuteriomethyl)amino]-1-hydroxyethyl]phenol is sourced from PubChem (CID 71313919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).