2-fluoro-2-(2-propan-2-yloxyphenyl)butan-1-amine

C13H20FNO — CID 112566082

IUPAC2-fluoro-2-(2-propan-2-yloxyphenyl)butan-1-amine
SMILESCCC(F)(CN)c1ccccc1OC(C)C
InChIInChI=1S/C13H20FNO/c1-4-13(14,9-15)11-7-5-6-8-12(11)16-10(2)3/h5-8,10H,4,9,15H2,1-3H3
InChIKeyZMIKFHQJWMBKEU-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.01
Rot. Bonds5

About 2-fluoro-2-(2-propan-2-yloxyphenyl)butan-1-amine

2-fluoro-2-(2-propan-2-yloxyphenyl)butan-1-amine (PubChem CID 112566082) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-fluoro-2-(2-propan-2-yloxyphenyl)butan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-(2-propan-2-yloxyphenyl)butan-1-amine
PubChem CID112566082
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name2-fluoro-2-(2-propan-2-yloxyphenyl)butan-1-amine
SMILESCCC(F)(CN)c1ccccc1OC(C)C
InChIInChI=1S/C13H20FNO/c1-4-13(14,9-15)11-7-5-6-8-12(11)16-10(2)3/h5-8,10H,4,9,15H2,1-3H3
InChIKeyZMIKFHQJWMBKEU-UHFFFAOYSA-N
XLogP3.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-2-(2-propan-2-yloxyphenyl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(2-propan-2-yloxyphenyl)butan-1-amine?
The IUPAC name of 2-fluoro-2-(2-propan-2-yloxyphenyl)butan-1-amine (CID 112566082) is 2-fluoro-2-(2-propan-2-yloxyphenyl)butan-1-amine.
What is the SMILES notation for 2-fluoro-2-(2-propan-2-yloxyphenyl)butan-1-amine?
The canonical SMILES for 2-fluoro-2-(2-propan-2-yloxyphenyl)butan-1-amine is CCC(F)(CN)c1ccccc1OC(C)C.
What is the InChIKey of 2-fluoro-2-(2-propan-2-yloxyphenyl)butan-1-amine?
The InChIKey is ZMIKFHQJWMBKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-4-13(14,9-15)11-7-5-6-8-12(11)16-10(2)3/h5-8,10H,4,9,15H2,1-3H3.
What are the key properties of 2-fluoro-2-(2-propan-2-yloxyphenyl)butan-1-amine?
2-fluoro-2-(2-propan-2-yloxyphenyl)butan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(2-propan-2-yloxyphenyl)butan-1-amine is sourced from PubChem (CID 112566082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).