[4-(2-aminoethyl)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanone

C18H25NO2 — CID 116577640

IUPAC[4-(2-aminoethyl)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanone
SMILESNCCc1ccc(C(=O)C2CCOC3(CCCC3)C2)cc1
InChIInChI=1S/C18H25NO2/c19-11-7-14-3-5-15(6-4-14)17(20)16-8-12-21-18(13-16)9-1-2-10-18/h3-6,16H,1-2,7-13,19H2
InChIKeySUBFJLOUKUANJE-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.11
Rot. Bonds4

About [4-(2-aminoethyl)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanone

[4-(2-aminoethyl)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanone (PubChem CID 116577640) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is [4-(2-aminoethyl)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name[4-(2-aminoethyl)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanone
PubChem CID116577640
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name[4-(2-aminoethyl)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanone
SMILESNCCc1ccc(C(=O)C2CCOC3(CCCC3)C2)cc1
InChIInChI=1S/C18H25NO2/c19-11-7-14-3-5-15(6-4-14)17(20)16-8-12-21-18(13-16)9-1-2-10-18/h3-6,16H,1-2,7-13,19H2
InChIKeySUBFJLOUKUANJE-UHFFFAOYSA-N
XLogP3.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of [4-(2-aminoethyl)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanone (CID 116577640) is [4-(2-aminoethyl)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for [4-(2-aminoethyl)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for [4-(2-aminoethyl)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanone is NCCc1ccc(C(=O)C2CCOC3(CCCC3)C2)cc1.
What is the InChIKey of [4-(2-aminoethyl)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanone?
The InChIKey is SUBFJLOUKUANJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c19-11-7-14-3-5-15(6-4-14)17(20)16-8-12-21-18(13-16)9-1-2-10-18/h3-6,16H,1-2,7-13,19H2.
What are the key properties of [4-(2-aminoethyl)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanone?
[4-(2-aminoethyl)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanone has a molecular weight of 287.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethyl)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 116577640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).