2-[2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]-N,N-dimethylethanamine

C19H30N2O — CID 131651846

IUPAC2-[2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]-N,N-dimethylethanamine
SMILESCc1ccc(C)c(CN2CC3(C2)OCCC3CCN(C)C)c1
InChIInChI=1S/C19H30N2O/c1-15-5-6-16(2)17(11-15)12-21-13-19(14-21)18(8-10-22-19)7-9-20(3)4/h5-6,11,18H,7-10,12-14H2,1-4H3
InChIKeyPJZONRJRBIYMLB-UHFFFAOYSA-N
MW302.46 g/mol
LogP2.85
Rot. Bonds5

About 2-[2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]-N,N-dimethylethanamine

2-[2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]-N,N-dimethylethanamine (PubChem CID 131651846) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 2-[2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]-N,N-dimethylethanamine
PubChem CID131651846
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name2-[2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]-N,N-dimethylethanamine
SMILESCc1ccc(C)c(CN2CC3(C2)OCCC3CCN(C)C)c1
InChIInChI=1S/C19H30N2O/c1-15-5-6-16(2)17(11-15)12-21-13-19(14-21)18(8-10-22-19)7-9-20(3)4/h5-6,11,18H,7-10,12-14H2,1-4H3
InChIKeyPJZONRJRBIYMLB-UHFFFAOYSA-N
XLogP2.85
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]-N,N-dimethylethanamine with MolForge

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Related Compounds

(8S)-2-[(2,5-dimethylphenyl)methyl]-8-(ethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124870220
2-[[(8R)-2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide
CID 124809200
2-cyclopropyl-N-[2-[2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]acetamide
CID 131663415
N-[2-[(8S)-2-(furan-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-5-methylpyrimidin-2-amine
CID 124912819
N-[2-[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-5-methylpyrimidin-2-amine
CID 131641516
(5R,9R)-2-[(2,5-dimethylphenyl)methyl]-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decan-9-amine;2,2,2-trifluoroacetic acid
CID 155847661
N-[2-[2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155836773
5-methyl-N-[2-[(8R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine
CID 124912777
N-[2-[(8R)-2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-5-methylpyrimidin-2-amine
CID 124912928
1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-ol
CID 24904964
5-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine
CID 131658800
2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methanone
CID 25469740

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]-N,N-dimethylethanamine (CID 131651846) is 2-[2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]-N,N-dimethylethanamine is Cc1ccc(C)c(CN2CC3(C2)OCCC3CCN(C)C)c1.
What is the InChIKey of 2-[2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]-N,N-dimethylethanamine?
The InChIKey is PJZONRJRBIYMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-15-5-6-16(2)17(11-15)12-21-13-19(14-21)18(8-10-22-19)7-9-20(3)4/h5-6,11,18H,7-10,12-14H2,1-4H3.
What are the key properties of 2-[2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]-N,N-dimethylethanamine?
2-[2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]-N,N-dimethylethanamine has a molecular weight of 302.46 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 131651846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).