1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(4-methylphenyl)ethanamine

C18H27NO2 — CID 79908712

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(4-methylphenyl)ethanamine
SMILESCc1ccc(CC(N)C2CCOC3(CCOCC3)C2)cc1
InChIInChI=1S/C18H27NO2/c1-14-2-4-15(5-3-14)12-17(19)16-6-9-21-18(13-16)7-10-20-11-8-18/h2-5,16-17H,6-13,19H2,1H3
InChIKeyUYOVTVUDBRZGOT-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.84
Rot. Bonds3

About 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(4-methylphenyl)ethanamine

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(4-methylphenyl)ethanamine (PubChem CID 79908712) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(4-methylphenyl)ethanamine
PubChem CID79908712
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(4-methylphenyl)ethanamine
SMILESCc1ccc(CC(N)C2CCOC3(CCOCC3)C2)cc1
InChIInChI=1S/C18H27NO2/c1-14-2-4-15(5-3-14)12-17(19)16-6-9-21-18(13-16)7-10-20-11-8-18/h2-5,16-17H,6-13,19H2,1H3
InChIKeyUYOVTVUDBRZGOT-UHFFFAOYSA-N
XLogP2.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(3-methylphenyl)ethanamine
CID 79914739
1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylethanamine
CID 79921850
2-(3-methylphenyl)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
CID 79908437
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxyethanamine
CID 79911954
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-propan-2-ylsulfanylethanamine
CID 79911677
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-amine
CID 79915399
1-cyclopropyl-2-(4-methylphenyl)ethanamine
CID 60818816
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pentan-1-amine
CID 79911282
2-cyclobutyl-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanamine
CID 103169144
1-(1,9-dioxaspiro[5.5]undecan-4-yl)octan-1-amine
CID 105012097
2-(2-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine
CID 79914830
2-(3-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 79908148

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(4-methylphenyl)ethanamine?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(4-methylphenyl)ethanamine (CID 79908712) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(4-methylphenyl)ethanamine is Cc1ccc(CC(N)C2CCOC3(CCOCC3)C2)cc1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(4-methylphenyl)ethanamine?
The InChIKey is UYOVTVUDBRZGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-14-2-4-15(5-3-14)12-17(19)16-6-9-21-18(13-16)7-10-20-11-8-18/h2-5,16-17H,6-13,19H2,1H3.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(4-methylphenyl)ethanamine?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(4-methylphenyl)ethanamine has a molecular weight of 289.42 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 79908712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).