1-amino-1-phenyloctan-1-ol

C14H23NO — CID 118588766

IUPAC1-amino-1-phenyloctan-1-ol
SMILESCCCCCCCC(N)(O)c1ccccc1
InChIInChI=1S/C14H23NO/c1-2-3-4-5-9-12-14(15,16)13-10-7-6-8-11-13/h6-8,10-11,16H,2-5,9,12,15H2,1H3
InChIKeyQITBNJCYFIUWPC-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.15
Rot. Bonds7

About 1-amino-1-phenyloctan-1-ol

1-amino-1-phenyloctan-1-ol (PubChem CID 118588766) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-amino-1-phenyloctan-1-ol.

Molecular Properties

Compound Name1-amino-1-phenyloctan-1-ol
PubChem CID118588766
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-amino-1-phenyloctan-1-ol
SMILESCCCCCCCC(N)(O)c1ccccc1
InChIInChI=1S/C14H23NO/c1-2-3-4-5-9-12-14(15,16)13-10-7-6-8-11-13/h6-8,10-11,16H,2-5,9,12,15H2,1H3
InChIKeyQITBNJCYFIUWPC-UHFFFAOYSA-N
XLogP3.15
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-phenyloctan-1-ol?
The IUPAC name of 1-amino-1-phenyloctan-1-ol (CID 118588766) is 1-amino-1-phenyloctan-1-ol.
What is the SMILES notation for 1-amino-1-phenyloctan-1-ol?
The canonical SMILES for 1-amino-1-phenyloctan-1-ol is CCCCCCCC(N)(O)c1ccccc1.
What is the InChIKey of 1-amino-1-phenyloctan-1-ol?
The InChIKey is QITBNJCYFIUWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-3-4-5-9-12-14(15,16)13-10-7-6-8-11-13/h6-8,10-11,16H,2-5,9,12,15H2,1H3.
What are the key properties of 1-amino-1-phenyloctan-1-ol?
1-amino-1-phenyloctan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-phenyloctan-1-ol is sourced from PubChem (CID 118588766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).