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

C15H22N2O2 — CID 104848471

IUPAC[3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)phenyl]methanamine
SMILESCOc1cc(CN)ccc1N1CC2(CCOCC2)C1
InChIInChI=1S/C15H22N2O2/c1-18-14-8-12(9-16)2-3-13(14)17-10-15(11-17)4-6-19-7-5-15/h2-3,8H,4-7,9-11,16H2,1H3
InChIKeyLHBCIEWUZWCBND-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.77
Rot. Bonds3

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

[3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)phenyl]methanamine (PubChem CID 104848471) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)phenyl]methanamine
PubChem CID104848471
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)phenyl]methanamine
SMILESCOc1cc(CN)ccc1N1CC2(CCOCC2)C1
InChIInChI=1S/C15H22N2O2/c1-18-14-8-12(9-16)2-3-13(14)17-10-15(11-17)4-6-19-7-5-15/h2-3,8H,4-7,9-11,16H2,1H3
InChIKeyLHBCIEWUZWCBND-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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)phenyl]methanamine?
The IUPAC name of [3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)phenyl]methanamine (CID 104848471) is [3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)phenyl]methanamine.
What is the SMILES notation for [3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)phenyl]methanamine?
The canonical SMILES for [3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)phenyl]methanamine is COc1cc(CN)ccc1N1CC2(CCOCC2)C1.
What is the InChIKey of [3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)phenyl]methanamine?
The InChIKey is LHBCIEWUZWCBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-18-14-8-12(9-16)2-3-13(14)17-10-15(11-17)4-6-19-7-5-15/h2-3,8H,4-7,9-11,16H2,1H3.
What are the key properties of [3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)phenyl]methanamine?
[3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)phenyl]methanamine has a molecular weight of 262.35 g/mol, XLogP of 1.77, 3 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)phenyl]methanamine is sourced from PubChem (CID 104848471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).