8-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine

C19H29FN2O2 — CID 118746817

IUPAC8-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCOCCN(C)C1COC2(CCN(Cc3cccc(F)c3)CC2)C1
InChIInChI=1S/C19H29FN2O2/c1-21(10-11-23-2)18-13-19(24-15-18)6-8-22(9-7-19)14-16-4-3-5-17(20)12-16/h3-5,12,18H,6-11,13-15H2,1-2H3
InChIKeyCDZVPZDJTRMQSJ-UHFFFAOYSA-N
MW336.45 g/mol
LogP2.53
Rot. Bonds6

About 8-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine

8-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 118746817) has the molecular formula C19H29FN2O2 and a molecular weight of 336.45 g/mol. Its IUPAC name is 8-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound Name8-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID118746817
Molecular FormulaC19H29FN2O2
Molecular Weight336.45 g/mol
Exact Mass336.22
IUPAC Name8-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCOCCN(C)C1COC2(CCN(Cc3cccc(F)c3)CC2)C1
InChIInChI=1S/C19H29FN2O2/c1-21(10-11-23-2)18-13-19(24-15-18)6-8-22(9-7-19)14-16-4-3-5-17(20)12-16/h3-5,12,18H,6-11,13-15H2,1-2H3
InChIKeyCDZVPZDJTRMQSJ-UHFFFAOYSA-N
XLogP2.53
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of 8-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 118746817) is 8-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for 8-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for 8-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine is COCCN(C)C1COC2(CCN(Cc3cccc(F)c3)CC2)C1.
What is the InChIKey of 8-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is CDZVPZDJTRMQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O2/c1-21(10-11-23-2)18-13-19(24-15-18)6-8-22(9-7-19)14-16-4-3-5-17(20)12-16/h3-5,12,18H,6-11,13-15H2,1-2H3.
What are the key properties of 8-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
8-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 336.45 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 118746817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).