3-[(1R)-1-hydroxy-2-(trideuterio(113C)methylamino)ethyl]phenol

C9H13NO2 — CID 76973806

IUPAC3-[(1R)-1-hydroxy-2-(trideuterio(113C)methylamino)ethyl]phenol
SMILES[2H][13C]([2H])([2H])NC[C@H](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/i1+1D3
InChIKeySONNWYBIRXJNDC-OJGGYYPISA-N
MW171.22 g/mol
LogP0.64
Rot. Bonds4

About 3-[(1R)-1-hydroxy-2-(trideuterio(113C)methylamino)ethyl]phenol

3-[(1R)-1-hydroxy-2-(trideuterio(113C)methylamino)ethyl]phenol (PubChem CID 76973806) has the molecular formula C9H13NO2 and a molecular weight of 171.22 g/mol. Its IUPAC name is 3-[(1R)-1-hydroxy-2-(trideuterio(113C)methylamino)ethyl]phenol.

Molecular Properties

Compound Name3-[(1R)-1-hydroxy-2-(trideuterio(113C)methylamino)ethyl]phenol
PubChem CID76973806
Molecular FormulaC9H13NO2
Molecular Weight171.22 g/mol
Exact Mass171.12
IUPAC Name3-[(1R)-1-hydroxy-2-(trideuterio(113C)methylamino)ethyl]phenol
SMILES[2H][13C]([2H])([2H])NC[C@H](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/i1+1D3
InChIKeySONNWYBIRXJNDC-OJGGYYPISA-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 ≤ 500171.22
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride
CID 16745125
3-[(1R)-1-deuterio-1-hydroxy-2-(trideuteriomethylamino)ethyl]phenol
CID 25177202
(Z)-but-2-enedioic acid;3-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 68717826
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-[(1R)-1-deuterio-1-hydroxy-2-(methylamino)ethyl]phenol
CID 59348047
[2-hydroxy-2-(3-hydroxyphenyl)ethyl]carbamic acid
CID 70112963
N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]propanamide
CID 20616558
3-[(1S)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol
CID 7435960
3-[1-hydroxy-2-(prop-2-enylamino)ethyl]phenol;hydrochloride
CID 70405154
(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
N-deuterio-2-deuteriooxy-2-(3-deuteriooxyphenyl)-N-(trideuteriomethyl)ethanamine
CID 25177408
3-[(1R)-2-[(5-ethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol
CID 97192755

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-hydroxy-2-(trideuterio(113C)methylamino)ethyl]phenol?
The IUPAC name of 3-[(1R)-1-hydroxy-2-(trideuterio(113C)methylamino)ethyl]phenol (CID 76973806) is 3-[(1R)-1-hydroxy-2-(trideuterio(113C)methylamino)ethyl]phenol.
What is the SMILES notation for 3-[(1R)-1-hydroxy-2-(trideuterio(113C)methylamino)ethyl]phenol?
The canonical SMILES for 3-[(1R)-1-hydroxy-2-(trideuterio(113C)methylamino)ethyl]phenol is [2H][13C]([2H])([2H])NC[C@H](O)c1cccc(O)c1.
What is the InChIKey of 3-[(1R)-1-hydroxy-2-(trideuterio(113C)methylamino)ethyl]phenol?
The InChIKey is SONNWYBIRXJNDC-OJGGYYPISA-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/i1+1D3.
What are the key properties of 3-[(1R)-1-hydroxy-2-(trideuterio(113C)methylamino)ethyl]phenol?
3-[(1R)-1-hydroxy-2-(trideuterio(113C)methylamino)ethyl]phenol has a molecular weight of 171.22 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-hydroxy-2-(trideuterio(113C)methylamino)ethyl]phenol is sourced from PubChem (CID 76973806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).