(1S)-2-amino-1-phenylethanol

C8H11NO — CID 643217

IUPAC(1S)-2-amino-1-phenylethanol
SMILESNC[C@@H](O)c1ccccc1
InChIInChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2/t8-/m1/s1
InChIKeyULSIYEODSMZIPX-MRVPVSSYSA-N
MW137.18 g/mol
LogP0.68
Rot. Bonds2

About (1S)-2-amino-1-phenylethanol

(1S)-2-amino-1-phenylethanol (PubChem CID 643217) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (1S)-2-amino-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-amino-1-phenylethanol
PubChem CID643217
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(1S)-2-amino-1-phenylethanol
SMILESNC[C@@H](O)c1ccccc1
InChIInChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2/t8-/m1/s1
InChIKeyULSIYEODSMZIPX-MRVPVSSYSA-N
XLogP0.68
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-amino-1-phenylethanol?
The IUPAC name of (1S)-2-amino-1-phenylethanol (CID 643217) is (1S)-2-amino-1-phenylethanol.
What is the SMILES notation for (1S)-2-amino-1-phenylethanol?
The canonical SMILES for (1S)-2-amino-1-phenylethanol is NC[C@@H](O)c1ccccc1.
What is the InChIKey of (1S)-2-amino-1-phenylethanol?
The InChIKey is ULSIYEODSMZIPX-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2/t8-/m1/s1.
What are the key properties of (1S)-2-amino-1-phenylethanol?
(1S)-2-amino-1-phenylethanol has a molecular weight of 137.18 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-amino-1-phenylethanol is sourced from PubChem (CID 643217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).