N-(3-ethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine

C16H23NO3 — CID 79894794

IUPACN-(3-ethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCCOc1cccc(NC2CCOC3(CCOC3)C2)c1
InChIInChI=1S/C16H23NO3/c1-2-19-15-5-3-4-13(10-15)17-14-6-8-20-16(11-14)7-9-18-12-16/h3-5,10,14,17H,2,6-9,11-12H2,1H3
InChIKeyPHEZQMSYOXACMB-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.84
Rot. Bonds4

About N-(3-ethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine

N-(3-ethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 79894794) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID79894794
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-(3-ethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCCOc1cccc(NC2CCOC3(CCOC3)C2)c1
InChIInChI=1S/C16H23NO3/c1-2-19-15-5-3-4-13(10-15)17-14-6-8-20-16(11-14)7-9-18-12-16/h3-5,10,14,17H,2,6-9,11-12H2,1H3
InChIKeyPHEZQMSYOXACMB-UHFFFAOYSA-N
XLogP2.84
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79901878
3-(2,6-dioxaspiro[4.5]decan-9-ylamino)benzonitrile
CID 79897939
N-(4-chloro-3-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895150
N-(4-fluoro-3-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903956
N-(2,6-dioxaspiro[4.5]decan-9-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 79902131
(5S,9S)-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 97255380
N-phenyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897459
N-[(3-methoxyphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 79894908
N-(3-ethylphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 79898400
3-ethoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline
CID 115998847
3-N-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methylbenzene-1,3-diamine
CID 138684089
N-(3-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897456

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(3-ethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine (CID 79894794) is N-(3-ethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(3-ethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(3-ethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine is CCOc1cccc(NC2CCOC3(CCOC3)C2)c1.
What is the InChIKey of N-(3-ethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is PHEZQMSYOXACMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-19-15-5-3-4-13(10-15)17-14-6-8-20-16(11-14)7-9-18-12-16/h3-5,10,14,17H,2,6-9,11-12H2,1H3.
What are the key properties of N-(3-ethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
N-(3-ethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 277.36 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79894794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).