2,2-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]oxan-4-amine

C18H28FNO — CID 115897071

IUPAC2,2-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]oxan-4-amine
SMILESCCC1(CC)CC(NC(C)Cc2ccc(F)cc2)CCO1
InChIInChI=1S/C18H28FNO/c1-4-18(5-2)13-17(10-11-21-18)20-14(3)12-15-6-8-16(19)9-7-15/h6-9,14,17,20H,4-5,10-13H2,1-3H3
InChIKeyZGURNUJRNJGIDH-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.08
Rot. Bonds6

About 2,2-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]oxan-4-amine

2,2-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]oxan-4-amine (PubChem CID 115897071) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 2,2-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]oxan-4-amine.

Molecular Properties

Compound Name2,2-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]oxan-4-amine
PubChem CID115897071
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name2,2-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]oxan-4-amine
SMILESCCC1(CC)CC(NC(C)Cc2ccc(F)cc2)CCO1
InChIInChI=1S/C18H28FNO/c1-4-18(5-2)13-17(10-11-21-18)20-14(3)12-15-6-8-16(19)9-7-15/h6-9,14,17,20H,4-5,10-13H2,1-3H3
InChIKeyZGURNUJRNJGIDH-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]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 2,2-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]oxan-4-amine?
The IUPAC name of 2,2-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]oxan-4-amine (CID 115897071) is 2,2-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]oxan-4-amine.
What is the SMILES notation for 2,2-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]oxan-4-amine?
The canonical SMILES for 2,2-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]oxan-4-amine is CCC1(CC)CC(NC(C)Cc2ccc(F)cc2)CCO1.
What is the InChIKey of 2,2-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]oxan-4-amine?
The InChIKey is ZGURNUJRNJGIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-4-18(5-2)13-17(10-11-21-18)20-14(3)12-15-6-8-16(19)9-7-15/h6-9,14,17,20H,4-5,10-13H2,1-3H3.
What are the key properties of 2,2-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]oxan-4-amine?
2,2-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]oxan-4-amine has a molecular weight of 293.43 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]oxan-4-amine is sourced from PubChem (CID 115897071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).