1-amino-1-(2-fluorophenyl)-3-methylbutan-1-ol

C11H16FNO — CID 70516309

IUPAC1-amino-1-(2-fluorophenyl)-3-methylbutan-1-ol
SMILESCC(C)CC(N)(O)c1ccccc1F
InChIInChI=1S/C11H16FNO/c1-8(2)7-11(13,14)9-5-3-4-6-10(9)12/h3-6,8,14H,7,13H2,1-2H3
InChIKeyUWKDVJQPYPCDIH-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.98
Rot. Bonds3

About 1-amino-1-(2-fluorophenyl)-3-methylbutan-1-ol

1-amino-1-(2-fluorophenyl)-3-methylbutan-1-ol (PubChem CID 70516309) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 1-amino-1-(2-fluorophenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-amino-1-(2-fluorophenyl)-3-methylbutan-1-ol
PubChem CID70516309
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name1-amino-1-(2-fluorophenyl)-3-methylbutan-1-ol
SMILESCC(C)CC(N)(O)c1ccccc1F
InChIInChI=1S/C11H16FNO/c1-8(2)7-11(13,14)9-5-3-4-6-10(9)12/h3-6,8,14H,7,13H2,1-2H3
InChIKeyUWKDVJQPYPCDIH-UHFFFAOYSA-N
XLogP1.98
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.98
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-(2-fluorophenyl)-3-methylbutan-1-ol?
The IUPAC name of 1-amino-1-(2-fluorophenyl)-3-methylbutan-1-ol (CID 70516309) is 1-amino-1-(2-fluorophenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 1-amino-1-(2-fluorophenyl)-3-methylbutan-1-ol?
The canonical SMILES for 1-amino-1-(2-fluorophenyl)-3-methylbutan-1-ol is CC(C)CC(N)(O)c1ccccc1F.
What is the InChIKey of 1-amino-1-(2-fluorophenyl)-3-methylbutan-1-ol?
The InChIKey is UWKDVJQPYPCDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-8(2)7-11(13,14)9-5-3-4-6-10(9)12/h3-6,8,14H,7,13H2,1-2H3.
What are the key properties of 1-amino-1-(2-fluorophenyl)-3-methylbutan-1-ol?
1-amino-1-(2-fluorophenyl)-3-methylbutan-1-ol has a molecular weight of 197.25 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(2-fluorophenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 70516309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).