6-(2-phenylmethoxyethyl)-2-oxa-6-azaspiro[3.3]heptane

C14H19NO2 — CID 170714850

IUPAC6-(2-phenylmethoxyethyl)-2-oxa-6-azaspiro[3.3]heptane
SMILESc1ccc(COCCN2CC3(COC3)C2)cc1
InChIInChI=1S/C14H19NO2/c1-2-4-13(5-3-1)8-16-7-6-15-9-14(10-15)11-17-12-14/h1-5H,6-12H2
InChIKeyZZNSCBRXCLAFRN-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.54
Rot. Bonds5

About 6-(2-phenylmethoxyethyl)-2-oxa-6-azaspiro[3.3]heptane

6-(2-phenylmethoxyethyl)-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 170714850) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 6-(2-phenylmethoxyethyl)-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-(2-phenylmethoxyethyl)-2-oxa-6-azaspiro[3.3]heptane
PubChem CID170714850
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name6-(2-phenylmethoxyethyl)-2-oxa-6-azaspiro[3.3]heptane
SMILESc1ccc(COCCN2CC3(COC3)C2)cc1
InChIInChI=1S/C14H19NO2/c1-2-4-13(5-3-1)8-16-7-6-15-9-14(10-15)11-17-12-14/h1-5H,6-12H2
InChIKeyZZNSCBRXCLAFRN-UHFFFAOYSA-N
XLogP1.54
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,4-bis(2-phenylmethoxyethyl)piperazine
CID 2973061
1-methyl-4-(2-phenylmethoxyethyl)piperazine
CID 13309119
8-(2-phenylmethoxyethyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 130536954
1-(2-phenylmethoxyethyl)piperazine;dihydrochloride
CID 154704526
1-[2-[(4-benzylphenyl)methoxy]ethyl]pyrrolidine
CID 10732658
[3-(hydroxymethyl)oxetan-3-yl]methanol;[3-(phenylmethoxymethyl)oxetan-3-yl]methanol
CID 159973315
2-(2-phenylmethoxyethyl)-1,3,4,5-tetrahydro-2-benzazepine
CID 157014112
bis(3-[4-(2-phenylmethoxyethyl)piperazin-1-yl]propanoic acid);hydrate
CID 156599366
sodium;bromomethylbenzene;hydride;2-morpholin-4-ylethanol;4-(2-phenylmethoxyethyl)morpholine
CID 163933477
(5S)-2-(2-methoxyethyl)-10-(2-phenylethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472054
3-ethyl-3-(phenylmethoxymethyl)oxetane
CID 22066200
2-cyclopentyl-9-(2-phenylmethoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70713615

Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylmethoxyethyl)-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 6-(2-phenylmethoxyethyl)-2-oxa-6-azaspiro[3.3]heptane (CID 170714850) is 6-(2-phenylmethoxyethyl)-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 6-(2-phenylmethoxyethyl)-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-(2-phenylmethoxyethyl)-2-oxa-6-azaspiro[3.3]heptane is c1ccc(COCCN2CC3(COC3)C2)cc1.
What is the InChIKey of 6-(2-phenylmethoxyethyl)-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is ZZNSCBRXCLAFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-4-13(5-3-1)8-16-7-6-15-9-14(10-15)11-17-12-14/h1-5H,6-12H2.
What are the key properties of 6-(2-phenylmethoxyethyl)-2-oxa-6-azaspiro[3.3]heptane?
6-(2-phenylmethoxyethyl)-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 233.31 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylmethoxyethyl)-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 170714850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).