(1S)-2-amino-1-(2-methoxyphenyl)ethanol

C9H13NO2 — CID 40787145

IUPAC(1S)-2-amino-1-(2-methoxyphenyl)ethanol
SMILESCOc1ccccc1[C@H](O)CN
InChIInChI=1S/C9H13NO2/c1-12-9-5-3-2-4-7(9)8(11)6-10/h2-5,8,11H,6,10H2,1H3/t8-/m1/s1
InChIKeyILFKFOKAPPGUOP-MRVPVSSYSA-N
MW167.21 g/mol
LogP0.69
Rot. Bonds3

About (1S)-2-amino-1-(2-methoxyphenyl)ethanol

(1S)-2-amino-1-(2-methoxyphenyl)ethanol (PubChem CID 40787145) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is (1S)-2-amino-1-(2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-amino-1-(2-methoxyphenyl)ethanol
PubChem CID40787145
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name(1S)-2-amino-1-(2-methoxyphenyl)ethanol
SMILESCOc1ccccc1[C@H](O)CN
InChIInChI=1S/C9H13NO2/c1-12-9-5-3-2-4-7(9)8(11)6-10/h2-5,8,11H,6,10H2,1H3/t8-/m1/s1
InChIKeyILFKFOKAPPGUOP-MRVPVSSYSA-N
XLogP0.69
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-amino-1-(2-methoxyphenyl)ethanol?
The IUPAC name of (1S)-2-amino-1-(2-methoxyphenyl)ethanol (CID 40787145) is (1S)-2-amino-1-(2-methoxyphenyl)ethanol.
What is the SMILES notation for (1S)-2-amino-1-(2-methoxyphenyl)ethanol?
The canonical SMILES for (1S)-2-amino-1-(2-methoxyphenyl)ethanol is COc1ccccc1[C@H](O)CN.
What is the InChIKey of (1S)-2-amino-1-(2-methoxyphenyl)ethanol?
The InChIKey is ILFKFOKAPPGUOP-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-12-9-5-3-2-4-7(9)8(11)6-10/h2-5,8,11H,6,10H2,1H3/t8-/m1/s1.
What are the key properties of (1S)-2-amino-1-(2-methoxyphenyl)ethanol?
(1S)-2-amino-1-(2-methoxyphenyl)ethanol has a molecular weight of 167.21 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-amino-1-(2-methoxyphenyl)ethanol is sourced from PubChem (CID 40787145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).