8-(2-methoxyethyl)-N-(3-methoxyphenyl)-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid

C20H29F3N2O5 — CID 155834145

IUPAC8-(2-methoxyethyl)-N-(3-methoxyphenyl)-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCC2(CC1)CC(Nc1cccc(OC)c1)CO2.O=C(O)C(F)(F)F
InChIInChI=1S/C18H28N2O3.C2HF3O2/c1-21-11-10-20-8-6-18(7-9-20)13-16(14-23-18)19-15-4-3-5-17(12-15)22-2;3-2(4,5)1(6)7/h3-5,12,16,19H,6-11,13-14H2,1-2H3;(H,6,7)
InChIKeyMCSARYXNBBIONE-UHFFFAOYSA-N
MW434.46 g/mol
LogP3.01
Rot. Bonds6

About 8-(2-methoxyethyl)-N-(3-methoxyphenyl)-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid

8-(2-methoxyethyl)-N-(3-methoxyphenyl)-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 155834145) has the molecular formula C20H29F3N2O5 and a molecular weight of 434.46 g/mol. Its IUPAC name is 8-(2-methoxyethyl)-N-(3-methoxyphenyl)-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name8-(2-methoxyethyl)-N-(3-methoxyphenyl)-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid
PubChem CID155834145
Molecular FormulaC20H29F3N2O5
Molecular Weight434.46 g/mol
Exact Mass434.20
IUPAC Name8-(2-methoxyethyl)-N-(3-methoxyphenyl)-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCC2(CC1)CC(Nc1cccc(OC)c1)CO2.O=C(O)C(F)(F)F
InChIInChI=1S/C18H28N2O3.C2HF3O2/c1-21-11-10-20-8-6-18(7-9-20)13-16(14-23-18)19-15-4-3-5-17(12-15)22-2;3-2(4,5)1(6)7/h3-5,12,16,19H,6-11,13-14H2,1-2H3;(H,6,7)
InChIKeyMCSARYXNBBIONE-UHFFFAOYSA-N
XLogP3.01
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-8-(4-ethylphenyl)sulfonyl-N-(3-methoxyphenyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97488190
8-(4-ethylphenyl)sulfonyl-N-(3-methoxyphenyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 131647352
2-[(3R,5R)-3-(3-fluoroanilino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetic acid
CID 97486903
(3R,5S)-7-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97371010
7-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 131642908
3-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 71784695
N-[8-[(3,4-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155843030
7-(pyridin-3-ylmethyl)-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 171689944
N-[4-[2-(4-acetylpiperazin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-methoxybenzamide;2,2,2-trifluoroacetic acid
CID 46834523
(5R,9R)-2-[(4-methoxyphenyl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine;bis(2,2,2-trifluoroacetic acid)
CID 155829624
N-(6-methylpyridazin-3-yl)-7-(thiophen-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 171686063
1-[4-[3-(2-methoxyethoxy)anilino]piperidin-1-yl]ethanone
CID 60936422

Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyethyl)-N-(3-methoxyphenyl)-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 8-(2-methoxyethyl)-N-(3-methoxyphenyl)-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid (CID 155834145) is 8-(2-methoxyethyl)-N-(3-methoxyphenyl)-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 8-(2-methoxyethyl)-N-(3-methoxyphenyl)-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 8-(2-methoxyethyl)-N-(3-methoxyphenyl)-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid is COCCN1CCC2(CC1)CC(Nc1cccc(OC)c1)CO2.O=C(O)C(F)(F)F.
What is the InChIKey of 8-(2-methoxyethyl)-N-(3-methoxyphenyl)-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is MCSARYXNBBIONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3.C2HF3O2/c1-21-11-10-20-8-6-18(7-9-20)13-16(14-23-18)19-15-4-3-5-17(12-15)22-2;3-2(4,5)1(6)7/h3-5,12,16,19H,6-11,13-14H2,1-2H3;(H,6,7).
What are the key properties of 8-(2-methoxyethyl)-N-(3-methoxyphenyl)-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid?
8-(2-methoxyethyl)-N-(3-methoxyphenyl)-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 434.46 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyethyl)-N-(3-methoxyphenyl)-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155834145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).