N-(2-fluoro-4-propan-2-ylphenyl)oxan-4-amine

C14H20FNO — CID 59376148

IUPACN-(2-fluoro-4-propan-2-ylphenyl)oxan-4-amine
SMILESCC(C)c1ccc(NC2CCOCC2)c(F)c1
InChIInChI=1S/C14H20FNO/c1-10(2)11-3-4-14(13(15)9-11)16-12-5-7-17-8-6-12/h3-4,9-10,12,16H,5-8H2,1-2H3
InChIKeyIHSWNRLGKJUJCD-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.54
Rot. Bonds3

About N-(2-fluoro-4-propan-2-ylphenyl)oxan-4-amine

N-(2-fluoro-4-propan-2-ylphenyl)oxan-4-amine (PubChem CID 59376148) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-(2-fluoro-4-propan-2-ylphenyl)oxan-4-amine.

Molecular Properties

Compound NameN-(2-fluoro-4-propan-2-ylphenyl)oxan-4-amine
PubChem CID59376148
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-(2-fluoro-4-propan-2-ylphenyl)oxan-4-amine
SMILESCC(C)c1ccc(NC2CCOCC2)c(F)c1
InChIInChI=1S/C14H20FNO/c1-10(2)11-3-4-14(13(15)9-11)16-12-5-7-17-8-6-12/h3-4,9-10,12,16H,5-8H2,1-2H3
InChIKeyIHSWNRLGKJUJCD-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-fluoro-4-propan-2-ylphenyl)oxan-4-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 N-(2-fluoro-4-propan-2-ylphenyl)oxan-4-amine?
The IUPAC name of N-(2-fluoro-4-propan-2-ylphenyl)oxan-4-amine (CID 59376148) is N-(2-fluoro-4-propan-2-ylphenyl)oxan-4-amine.
What is the SMILES notation for N-(2-fluoro-4-propan-2-ylphenyl)oxan-4-amine?
The canonical SMILES for N-(2-fluoro-4-propan-2-ylphenyl)oxan-4-amine is CC(C)c1ccc(NC2CCOCC2)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-propan-2-ylphenyl)oxan-4-amine?
The InChIKey is IHSWNRLGKJUJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10(2)11-3-4-14(13(15)9-11)16-12-5-7-17-8-6-12/h3-4,9-10,12,16H,5-8H2,1-2H3.
What are the key properties of N-(2-fluoro-4-propan-2-ylphenyl)oxan-4-amine?
N-(2-fluoro-4-propan-2-ylphenyl)oxan-4-amine has a molecular weight of 237.32 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-propan-2-ylphenyl)oxan-4-amine is sourced from PubChem (CID 59376148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).