[3-(dimethylamino)phenyl]methyl 2-(oxolan-2-yl)acetate

C15H21NO3 — CID 56806950

IUPAC[3-(dimethylamino)phenyl]methyl 2-(oxolan-2-yl)acetate
SMILESCN(C)c1cccc(COC(=O)CC2CCCO2)c1
InChIInChI=1S/C15H21NO3/c1-16(2)13-6-3-5-12(9-13)11-19-15(17)10-14-7-4-8-18-14/h3,5-6,9,14H,4,7-8,10-11H2,1-2H3
InChIKeyOCHINNCZTQYASQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.36
Rot. Bonds5

About [3-(dimethylamino)phenyl]methyl 2-(oxolan-2-yl)acetate

[3-(dimethylamino)phenyl]methyl 2-(oxolan-2-yl)acetate (PubChem CID 56806950) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]methyl 2-(oxolan-2-yl)acetate.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]methyl 2-(oxolan-2-yl)acetate
PubChem CID56806950
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name[3-(dimethylamino)phenyl]methyl 2-(oxolan-2-yl)acetate
SMILESCN(C)c1cccc(COC(=O)CC2CCCO2)c1
InChIInChI=1S/C15H21NO3/c1-16(2)13-6-3-5-12(9-13)11-19-15(17)10-14-7-4-8-18-14/h3,5-6,9,14H,4,7-8,10-11H2,1-2H3
InChIKeyOCHINNCZTQYASQ-UHFFFAOYSA-N
XLogP2.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-[(oxolan-2-ylmethylamino)methyl]aniline
CID 54884287
(4-ethoxy-3,5-dimethylphenyl)methyl 2-[(2S)-oxolan-2-yl]acetate
CID 95197435
3-(dimethylamino)-N-[2-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 94022695
[3-(dimethylamino)phenyl]methyl 4-ethoxybutanoate
CID 56806949
ethyl 2-(oxepan-2-yl)acetate
CID 14174537
N-[4-(dimethylamino)phenyl]-2-(oxolan-2-yl)acetamide
CID 110696648
benzyl 2-morpholin-2-ylacetate
CID 66434624
N-benzyl-N-methyl-2-(oxan-2-yl)acetamide
CID 110409576
2-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124778955
methyl 3-[oxolan-2-ylmethyl(phenylmethoxycarbonyl)amino]propanoate
CID 78964120
3-(dimethylamino)-N-(oxan-2-yloxy)benzamide
CID 60612522
trans-[3-(dimethylamino)phenyl]methyl (1S,2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxylate
CID 99811398

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]methyl 2-(oxolan-2-yl)acetate?
The IUPAC name of [3-(dimethylamino)phenyl]methyl 2-(oxolan-2-yl)acetate (CID 56806950) is [3-(dimethylamino)phenyl]methyl 2-(oxolan-2-yl)acetate.
What is the SMILES notation for [3-(dimethylamino)phenyl]methyl 2-(oxolan-2-yl)acetate?
The canonical SMILES for [3-(dimethylamino)phenyl]methyl 2-(oxolan-2-yl)acetate is CN(C)c1cccc(COC(=O)CC2CCCO2)c1.
What is the InChIKey of [3-(dimethylamino)phenyl]methyl 2-(oxolan-2-yl)acetate?
The InChIKey is OCHINNCZTQYASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-16(2)13-6-3-5-12(9-13)11-19-15(17)10-14-7-4-8-18-14/h3,5-6,9,14H,4,7-8,10-11H2,1-2H3.
What are the key properties of [3-(dimethylamino)phenyl]methyl 2-(oxolan-2-yl)acetate?
[3-(dimethylamino)phenyl]methyl 2-(oxolan-2-yl)acetate has a molecular weight of 263.34 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]methyl 2-(oxolan-2-yl)acetate is sourced from PubChem (CID 56806950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).