2-[(9R)-9-(3-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine

C17H24FNO — CID 140624928

IUPAC2-[(9R)-9-(3-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine
SMILESNCC[C@@]1(c2cccc(F)c2)CCOC2(CCCC2)C1
InChIInChI=1S/C17H24FNO/c18-15-5-3-4-14(12-15)16(8-10-19)9-11-20-17(13-16)6-1-2-7-17/h3-5,12H,1-2,6-11,13,19H2/t16-/m1/s1
InChIKeyMJCQIDDQHDCSHD-MRXNPFEDSA-N
MW277.38 g/mol
LogP3.54
Rot. Bonds3

About 2-[(9R)-9-(3-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine

2-[(9R)-9-(3-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine (PubChem CID 140624928) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 2-[(9R)-9-(3-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine.

Molecular Properties

Compound Name2-[(9R)-9-(3-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine
PubChem CID140624928
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name2-[(9R)-9-(3-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine
SMILESNCC[C@@]1(c2cccc(F)c2)CCOC2(CCCC2)C1
InChIInChI=1S/C17H24FNO/c18-15-5-3-4-14(12-15)16(8-10-19)9-11-20-17(13-16)6-1-2-7-17/h3-5,12H,1-2,6-11,13,19H2/t16-/m1/s1
InChIKeyMJCQIDDQHDCSHD-MRXNPFEDSA-N
XLogP3.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(9R)-9-(3-fluorophenyl)-6-oxaspiro[4.5]decan-9-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-[(9R)-9-(3-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine?
The IUPAC name of 2-[(9R)-9-(3-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine (CID 140624928) is 2-[(9R)-9-(3-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine.
What is the SMILES notation for 2-[(9R)-9-(3-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine?
The canonical SMILES for 2-[(9R)-9-(3-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine is NCC[C@@]1(c2cccc(F)c2)CCOC2(CCCC2)C1.
What is the InChIKey of 2-[(9R)-9-(3-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine?
The InChIKey is MJCQIDDQHDCSHD-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24FNO/c18-15-5-3-4-14(12-15)16(8-10-19)9-11-20-17(13-16)6-1-2-7-17/h3-5,12H,1-2,6-11,13,19H2/t16-/m1/s1.
What are the key properties of 2-[(9R)-9-(3-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine?
2-[(9R)-9-(3-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine has a molecular weight of 277.38 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 2-[(9R)-9-(3-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine is sourced from PubChem (CID 140624928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).