2-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylethanamine

C18H27FN2O2 — CID 86799748

IUPAC2-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylethanamine
SMILESCN(CCN1CCOC2(CCOCC2)C1)Cc1ccc(F)cc1
InChIInChI=1S/C18H27FN2O2/c1-20(14-16-2-4-17(19)5-3-16)8-9-21-10-13-23-18(15-21)6-11-22-12-7-18/h2-5H,6-15H2,1H3
InChIKeyPFEKFAODOPBSSI-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.14
Rot. Bonds5

About 2-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylethanamine

2-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylethanamine (PubChem CID 86799748) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is 2-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name2-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylethanamine
PubChem CID86799748
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC Name2-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylethanamine
SMILESCN(CCN1CCOC2(CCOCC2)C1)Cc1ccc(F)cc1
InChIInChI=1S/C18H27FN2O2/c1-20(14-16-2-4-17(19)5-3-16)8-9-21-10-13-23-18(15-21)6-11-22-12-7-18/h2-5H,6-15H2,1H3
InChIKeyPFEKFAODOPBSSI-UHFFFAOYSA-N
XLogP2.14
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylethanamine 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-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylethanamine?
The IUPAC name of 2-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylethanamine (CID 86799748) is 2-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylethanamine.
What is the SMILES notation for 2-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylethanamine?
The canonical SMILES for 2-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylethanamine is CN(CCN1CCOC2(CCOCC2)C1)Cc1ccc(F)cc1.
What is the InChIKey of 2-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylethanamine?
The InChIKey is PFEKFAODOPBSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-20(14-16-2-4-17(19)5-3-16)8-9-21-10-13-23-18(15-21)6-11-22-12-7-18/h2-5H,6-15H2,1H3.
What are the key properties of 2-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylethanamine?
2-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylethanamine has a molecular weight of 322.42 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylethanamine is sourced from PubChem (CID 86799748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).