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

C16H19NO2 — CID 59940052

IUPAC3-[(1R)-2-[benzyl(methyl)amino]-1-hydroxyethyl]phenol
SMILESCN(Cc1ccccc1)C[C@H](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/t16-/m0/s1
InChIKeyJBBZPOHBHNEKIM-INIZCTEOSA-N
MW257.33 g/mol
LogP2.56
Rot. Bonds5

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

3-[(1R)-2-[benzyl(methyl)amino]-1-hydroxyethyl]phenol (PubChem CID 59940052) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-[(1R)-2-[benzyl(methyl)amino]-1-hydroxyethyl]phenol.

Molecular Properties

Compound Name3-[(1R)-2-[benzyl(methyl)amino]-1-hydroxyethyl]phenol
PubChem CID59940052
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-[(1R)-2-[benzyl(methyl)amino]-1-hydroxyethyl]phenol
SMILESCN(Cc1ccccc1)C[C@H](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/t16-/m0/s1
InChIKeyJBBZPOHBHNEKIM-INIZCTEOSA-N
XLogP2.56
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-2-[benzyl(methyl)amino]-1-hydroxyethyl]phenol?
The IUPAC name of 3-[(1R)-2-[benzyl(methyl)amino]-1-hydroxyethyl]phenol (CID 59940052) is 3-[(1R)-2-[benzyl(methyl)amino]-1-hydroxyethyl]phenol.
What is the SMILES notation for 3-[(1R)-2-[benzyl(methyl)amino]-1-hydroxyethyl]phenol?
The canonical SMILES for 3-[(1R)-2-[benzyl(methyl)amino]-1-hydroxyethyl]phenol is CN(Cc1ccccc1)C[C@H](O)c1cccc(O)c1.
What is the InChIKey of 3-[(1R)-2-[benzyl(methyl)amino]-1-hydroxyethyl]phenol?
The InChIKey is JBBZPOHBHNEKIM-INIZCTEOSA-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/t16-/m0/s1.
What are the key properties of 3-[(1R)-2-[benzyl(methyl)amino]-1-hydroxyethyl]phenol?
3-[(1R)-2-[benzyl(methyl)amino]-1-hydroxyethyl]phenol has a molecular weight of 257.33 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-2-[benzyl(methyl)amino]-1-hydroxyethyl]phenol is sourced from PubChem (CID 59940052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).