2-amino-1-phenylethanol

C8H11NO — CID 1000

💊View drug profile → phenylethanolamine
IUPAC2-amino-1-phenylethanol
SMILESNCC(O)c1ccccc1
InChIInChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2
InChIKeyULSIYEODSMZIPX-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.68
Rot. Bonds2

About 2-amino-1-phenylethanol

2-amino-1-phenylethanol (PubChem CID 1000) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2-amino-1-phenylethanol.

Molecular Properties

Compound Name2-amino-1-phenylethanol
PubChem CID1000
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2-amino-1-phenylethanol
SMILESNCC(O)c1ccccc1
InChIInChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2
InChIKeyULSIYEODSMZIPX-UHFFFAOYSA-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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Related Compounds

Octopamine
CID 4581
Pseudoephedrine
CID 7028
Ephedrine
CID 9294
Phenylpropanolamine
CID 10297
Ephedrine Hydrochloride
CID 65326
Cathine
CID 441457
(R)-Octopamine
CID 440266
Pseudoephedrine Hydrochloride
CID 9581
Phenylpropanolamine Hydrochloride
CID 62943
N-Methylephedrine
CID 4374
DL-Ephedrine
CID 5032
Methylephedrine
CID 64782

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-phenylethanol?
The IUPAC name of 2-amino-1-phenylethanol (CID 1000) is 2-amino-1-phenylethanol.
What is the SMILES notation for 2-amino-1-phenylethanol?
The canonical SMILES for 2-amino-1-phenylethanol is NCC(O)c1ccccc1.
What is the InChIKey of 2-amino-1-phenylethanol?
The InChIKey is ULSIYEODSMZIPX-UHFFFAOYSA-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.
What are the key properties of 2-amino-1-phenylethanol?
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 2-amino-1-phenylethanol is sourced from PubChem (CID 1000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).