2-[2-ethyl-4-(4-fluorophenyl)-2-methyloxan-4-yl]ethanamine

C16H24FNO — CID 3132830

IUPAC2-[2-ethyl-4-(4-fluorophenyl)-2-methyloxan-4-yl]ethanamine
SMILESCCC1(C)CC(CCN)(c2ccc(F)cc2)CCO1
InChIInChI=1S/C16H24FNO/c1-3-15(2)12-16(8-10-18,9-11-19-15)13-4-6-14(17)7-5-13/h4-7H,3,8-12,18H2,1-2H3
InChIKeyWSQUNCWRXSQNNW-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.39
Rot. Bonds4

About 2-[2-ethyl-4-(4-fluorophenyl)-2-methyloxan-4-yl]ethanamine

2-[2-ethyl-4-(4-fluorophenyl)-2-methyloxan-4-yl]ethanamine (PubChem CID 3132830) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 2-[2-ethyl-4-(4-fluorophenyl)-2-methyloxan-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-ethyl-4-(4-fluorophenyl)-2-methyloxan-4-yl]ethanamine
PubChem CID3132830
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name2-[2-ethyl-4-(4-fluorophenyl)-2-methyloxan-4-yl]ethanamine
SMILESCCC1(C)CC(CCN)(c2ccc(F)cc2)CCO1
InChIInChI=1S/C16H24FNO/c1-3-15(2)12-16(8-10-18,9-11-19-15)13-4-6-14(17)7-5-13/h4-7H,3,8-12,18H2,1-2H3
InChIKeyWSQUNCWRXSQNNW-UHFFFAOYSA-N
XLogP3.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-ethyl-4-(4-fluorophenyl)-2-methyloxan-4-yl]ethanamine 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-ethyl-4-(4-fluorophenyl)-2-methyloxan-4-yl]ethanamine?
The IUPAC name of 2-[2-ethyl-4-(4-fluorophenyl)-2-methyloxan-4-yl]ethanamine (CID 3132830) is 2-[2-ethyl-4-(4-fluorophenyl)-2-methyloxan-4-yl]ethanamine.
What is the SMILES notation for 2-[2-ethyl-4-(4-fluorophenyl)-2-methyloxan-4-yl]ethanamine?
The canonical SMILES for 2-[2-ethyl-4-(4-fluorophenyl)-2-methyloxan-4-yl]ethanamine is CCC1(C)CC(CCN)(c2ccc(F)cc2)CCO1.
What is the InChIKey of 2-[2-ethyl-4-(4-fluorophenyl)-2-methyloxan-4-yl]ethanamine?
The InChIKey is WSQUNCWRXSQNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-3-15(2)12-16(8-10-18,9-11-19-15)13-4-6-14(17)7-5-13/h4-7H,3,8-12,18H2,1-2H3.
What are the key properties of 2-[2-ethyl-4-(4-fluorophenyl)-2-methyloxan-4-yl]ethanamine?
2-[2-ethyl-4-(4-fluorophenyl)-2-methyloxan-4-yl]ethanamine has a molecular weight of 265.37 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-4-(4-fluorophenyl)-2-methyloxan-4-yl]ethanamine is sourced from PubChem (CID 3132830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).