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

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)propan-2-amine
CID 59028558
4-(5-fluoropentyl)-1,9-dioxa-4-azaspiro[5.5]undecane
CID 100644193
N'-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]morpholine-4-carboximidamide;hydroiodide
CID 111752497
4-[2-(4-fluorophenyl)ethyl]morpholine
CID 100965302
(2,5-dioxopyrrolidin-1-yl) 4-[(4-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 135238518
1-[(3S,5S)-7-[(4-fluorophenyl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]-N,N-dimethylmethanamine
CID 97375192
N,N-dimethyl-2-[4-(thiophen-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanamine
CID 118747259
4-[2-(4-fluorophenoxy)ethyl]-9-(pyrimidin-5-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 131926555
9-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxa-9-azaspiro[4.5]decane
CID 99782597
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]oxane-4-sulfonamide
CID 75376595
N-methyl-2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 63267585
(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[methyl(2-morpholin-4-ylethyl)amino]propanamide
CID 95343013

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).