4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-ethoxyaniline

C15H22N2O2 — CID 63678344

IUPAC4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-ethoxyaniline
SMILESCCOc1cc(N2CCOC3CCCC32)ccc1N
InChIInChI=1S/C15H22N2O2/c1-2-18-15-10-11(6-7-12(15)16)17-8-9-19-14-5-3-4-13(14)17/h6-7,10,13-14H,2-5,8-9,16H2,1H3
InChIKeyAPNPDIMKYOOMCK-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.43
Rot. Bonds3

About 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-ethoxyaniline

4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-ethoxyaniline (PubChem CID 63678344) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-ethoxyaniline.

Molecular Properties

Compound Name4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-ethoxyaniline
PubChem CID63678344
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-ethoxyaniline
SMILESCCOc1cc(N2CCOC3CCCC32)ccc1N
InChIInChI=1S/C15H22N2O2/c1-2-18-15-10-11(6-7-12(15)16)17-8-9-19-14-5-3-4-13(14)17/h6-7,10,13-14H,2-5,8-9,16H2,1H3
InChIKeyAPNPDIMKYOOMCK-UHFFFAOYSA-N
XLogP2.43
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-ethoxyaniline?
The IUPAC name of 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-ethoxyaniline (CID 63678344) is 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-ethoxyaniline.
What is the SMILES notation for 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-ethoxyaniline?
The canonical SMILES for 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-ethoxyaniline is CCOc1cc(N2CCOC3CCCC32)ccc1N.
What is the InChIKey of 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-ethoxyaniline?
The InChIKey is APNPDIMKYOOMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-18-15-10-11(6-7-12(15)16)17-8-9-19-14-5-3-4-13(14)17/h6-7,10,13-14H,2-5,8-9,16H2,1H3.
What are the key properties of 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-ethoxyaniline?
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-ethoxyaniline has a molecular weight of 262.35 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-ethoxyaniline is sourced from PubChem (CID 63678344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).