1-amino-1-phenylethanol

C8H11NO — CID 13388400

IUPAC1-amino-1-phenylethanol
SMILESCC(N)(O)c1ccccc1
InChIInChI=1S/C8H11NO/c1-8(9,10)7-5-3-2-4-6-7/h2-6,10H,9H2,1H3
InChIKeyBFAQNLRAFSBFGU-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.81
Rot. Bonds1

About 1-amino-1-phenylethanol

1-amino-1-phenylethanol (PubChem CID 13388400) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 1-amino-1-phenylethanol.

Molecular Properties

Compound Name1-amino-1-phenylethanol
PubChem CID13388400
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name1-amino-1-phenylethanol
SMILESCC(N)(O)c1ccccc1
InChIInChI=1S/C8H11NO/c1-8(9,10)7-5-3-2-4-6-7/h2-6,10H,9H2,1H3
InChIKeyBFAQNLRAFSBFGU-UHFFFAOYSA-N
XLogP0.81
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-phenylethanol?
The IUPAC name of 1-amino-1-phenylethanol (CID 13388400) is 1-amino-1-phenylethanol.
What is the SMILES notation for 1-amino-1-phenylethanol?
The canonical SMILES for 1-amino-1-phenylethanol is CC(N)(O)c1ccccc1.
What is the InChIKey of 1-amino-1-phenylethanol?
The InChIKey is BFAQNLRAFSBFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-8(9,10)7-5-3-2-4-6-7/h2-6,10H,9H2,1H3.
What are the key properties of 1-amino-1-phenylethanol?
1-amino-1-phenylethanol has a molecular weight of 137.18 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-phenylethanol is sourced from PubChem (CID 13388400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).