[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methanamine

C14H21NO2 — CID 55077404

IUPAC[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methanamine
SMILESCc1cccc(OCC2CCC(CN)O2)c1C
InChIInChI=1S/C14H21NO2/c1-10-4-3-5-14(11(10)2)16-9-13-7-6-12(8-15)17-13/h3-5,12-13H,6-9,15H2,1-2H3
InChIKeyMOIFLVLYOKYFDF-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.19
Rot. Bonds4

About [5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methanamine

[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methanamine (PubChem CID 55077404) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methanamine
PubChem CID55077404
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methanamine
SMILESCc1cccc(OCC2CCC(CN)O2)c1C
InChIInChI=1S/C14H21NO2/c1-10-4-3-5-14(11(10)2)16-9-13-7-6-12(8-15)17-13/h3-5,12-13H,6-9,15H2,1-2H3
InChIKeyMOIFLVLYOKYFDF-UHFFFAOYSA-N
XLogP2.19
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62453151
N-[[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 62453326
[5-[(2-bromophenoxy)methyl]oxolan-2-yl]methanamine
CID 62451404
[5-(quinolin-5-yloxymethyl)oxolan-2-yl]methanamine
CID 103045798
[5-[(3,4-dimethylphenoxy)methyl]oxolan-2-yl]methanamine
CID 62452869
[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine
CID 62455082
2-methyl-5-[(2-methylphenoxy)methyl]oxolane
CID 103141002
[5-[(1-bromonaphthalen-2-yl)oxymethyl]oxolan-2-yl]methanamine
CID 62486311
2-[(2,3-dimethylphenoxy)methyl]piperidine
CID 43823216
4-[(2,3-dimethylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 103432382
2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 103432287
[5-[(5-bromo-2-fluorophenoxy)methyl]oxolan-2-yl]methanamine
CID 114676919

Frequently Asked Questions

What is the IUPAC name of [5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methanamine?
The IUPAC name of [5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methanamine (CID 55077404) is [5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methanamine.
What is the SMILES notation for [5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methanamine?
The canonical SMILES for [5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methanamine is Cc1cccc(OCC2CCC(CN)O2)c1C.
What is the InChIKey of [5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methanamine?
The InChIKey is MOIFLVLYOKYFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-4-3-5-14(11(10)2)16-9-13-7-6-12(8-15)17-13/h3-5,12-13H,6-9,15H2,1-2H3.
What are the key properties of [5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methanamine?
[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methanamine is sourced from PubChem (CID 55077404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).