3-[(1R)-1-deuterio-1-hydroxy-2-(trideuteriomethylamino)ethyl]phenol

C9H13NO2 — CID 25177202

IUPAC3-[(1R)-1-deuterio-1-hydroxy-2-(trideuteriomethylamino)ethyl]phenol
SMILES[2H]C([2H])([2H])NC[C@]([2H])(O)c1cccc(O)c1
InChIInChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1/i1D3,9D
InChIKeySONNWYBIRXJNDC-VONWFZARSA-N
MW171.23 g/mol
LogP0.64
Rot. Bonds4

About 3-[(1R)-1-deuterio-1-hydroxy-2-(trideuteriomethylamino)ethyl]phenol

3-[(1R)-1-deuterio-1-hydroxy-2-(trideuteriomethylamino)ethyl]phenol (PubChem CID 25177202) has the molecular formula C9H13NO2 and a molecular weight of 171.23 g/mol. Its IUPAC name is 3-[(1R)-1-deuterio-1-hydroxy-2-(trideuteriomethylamino)ethyl]phenol.

Molecular Properties

Compound Name3-[(1R)-1-deuterio-1-hydroxy-2-(trideuteriomethylamino)ethyl]phenol
PubChem CID25177202
Molecular FormulaC9H13NO2
Molecular Weight171.23 g/mol
Exact Mass171.12
IUPAC Name3-[(1R)-1-deuterio-1-hydroxy-2-(trideuteriomethylamino)ethyl]phenol
SMILES[2H]C([2H])([2H])NC[C@]([2H])(O)c1cccc(O)c1
InChIInChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1/i1D3,9D
InChIKeySONNWYBIRXJNDC-VONWFZARSA-N
XLogP0.64
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.23
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(1R)-1-deuterio-1-hydroxy-2-(trideuteriomethylamino)ethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1R)-1-deuterio-1-hydroxy-2-(methylamino)ethyl]phenol
CID 59348047
3-[(1R)-1-hydroxy-2-(trideuterio(113C)methylamino)ethyl]phenol
CID 76973806
3-[(1S)-1-deuterio-1-hydroxy-2-(trideuteriomethylamino)ethyl]phenol;3-[(1R)-1-deuterio-1-hydroxy-2-(trideuteriomethylamino)ethyl]phenol;3-[(1R)-2,2-dideuterio-1-hydroxy-2-(trideuteriomethylamino)ethyl]phenol;3-[(1S)-2,2-dideuterio-1-hydroxy-2-(trideuteriomethylamino)ethyl]phenol;3-[(1R)-1-hydroxy-2-(trideuteriomethylamino)ethyl]phenol;3-[(1S)-1-hydroxy-2-(trideuteriomethylamino)ethyl]phenol;2,3,4,6-tetradeuterio-5-[1-deuterio-1-hydroxy-2-(trideuteriomethylamino)ethyl]phenol;2,3,4,6-tetradeuterio-5-[1-hydroxy-2-(trideuteriomethylamino)ethyl]phenol;3-[(1S)-1,2,2-trideuterio-1-hydroxy-2-(trideuteriomethylamino)ethyl]phenol;3-[(1R)-1,2,2-trideuterio-1-hydroxy-2-(trideuteriomethylamino)ethyl]phenol;3-[1,2,2-trideuterio-1-hydroxy-2-(trideuteriomethylamino)ethyl]phenol
CID 159595193
3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride
CID 16745125
3-[hydroxy(methylamino)methyl]phenol
CID 14302211
(2S)-N,1,1,2-tetradeuterio-2-deuteriooxy-2-(3-deuteriooxyphenyl)-N-(trideuteriomethyl)ethanamine
CID 25177277
3-[(1S)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol
CID 7435960
2-(3-hydroxyphenyl)-3-(methylamino)propanoic acid
CID 117243248
(Z)-but-2-enedioic acid;3-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 68717826
3-[(3S,4R)-4-(3-hydroxyphenyl)hexan-3-yl]phenol
CID 6917687
N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]propanamide
CID 20616558
3-[1-(hydroxyamino)ethyl]phenol
CID 82684421

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-deuterio-1-hydroxy-2-(trideuteriomethylamino)ethyl]phenol?
The IUPAC name of 3-[(1R)-1-deuterio-1-hydroxy-2-(trideuteriomethylamino)ethyl]phenol (CID 25177202) is 3-[(1R)-1-deuterio-1-hydroxy-2-(trideuteriomethylamino)ethyl]phenol.
What is the SMILES notation for 3-[(1R)-1-deuterio-1-hydroxy-2-(trideuteriomethylamino)ethyl]phenol?
The canonical SMILES for 3-[(1R)-1-deuterio-1-hydroxy-2-(trideuteriomethylamino)ethyl]phenol is [2H]C([2H])([2H])NC[C@]([2H])(O)c1cccc(O)c1.
What is the InChIKey of 3-[(1R)-1-deuterio-1-hydroxy-2-(trideuteriomethylamino)ethyl]phenol?
The InChIKey is SONNWYBIRXJNDC-VONWFZARSA-N. The full InChI is InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1/i1D3,9D.
What are the key properties of 3-[(1R)-1-deuterio-1-hydroxy-2-(trideuteriomethylamino)ethyl]phenol?
3-[(1R)-1-deuterio-1-hydroxy-2-(trideuteriomethylamino)ethyl]phenol has a molecular weight of 171.23 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-deuterio-1-hydroxy-2-(trideuteriomethylamino)ethyl]phenol is sourced from PubChem (CID 25177202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).