3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)aniline

C14H20N2O2 — CID 79688857

IUPAC3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)aniline
SMILESCOc1cc(N)ccc1N1CC2(CCOCC2)C1
InChIInChI=1S/C14H20N2O2/c1-17-13-8-11(15)2-3-12(13)16-9-14(10-16)4-6-18-7-5-14/h2-3,8H,4-7,9-10,15H2,1H3
InChIKeyHKSKPDJFHPFRDO-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.89
Rot. Bonds2

About 3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)aniline

3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)aniline (PubChem CID 79688857) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)aniline.

Molecular Properties

Compound Name3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)aniline
PubChem CID79688857
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)aniline
SMILESCOc1cc(N)ccc1N1CC2(CCOCC2)C1
InChIInChI=1S/C14H20N2O2/c1-17-13-8-11(15)2-3-12(13)16-9-14(10-16)4-6-18-7-5-14/h2-3,8H,4-7,9-10,15H2,1H3
InChIKeyHKSKPDJFHPFRDO-UHFFFAOYSA-N
XLogP1.89
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)aniline?
The IUPAC name of 3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)aniline (CID 79688857) is 3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)aniline.
What is the SMILES notation for 3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)aniline?
The canonical SMILES for 3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)aniline is COc1cc(N)ccc1N1CC2(CCOCC2)C1.
What is the InChIKey of 3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)aniline?
The InChIKey is HKSKPDJFHPFRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-17-13-8-11(15)2-3-12(13)16-9-14(10-16)4-6-18-7-5-14/h2-3,8H,4-7,9-10,15H2,1H3.
What are the key properties of 3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)aniline?
3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)aniline has a molecular weight of 248.33 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)aniline is sourced from PubChem (CID 79688857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).