[5-[(3,4-dimethylphenoxy)methyl]oxolan-2-yl]methanamine

C14H21NO2 — CID 62452869

IUPAC[5-[(3,4-dimethylphenoxy)methyl]oxolan-2-yl]methanamine
SMILESCc1ccc(OCC2CCC(CN)O2)cc1C
InChIInChI=1S/C14H21NO2/c1-10-3-4-12(7-11(10)2)16-9-14-6-5-13(8-15)17-14/h3-4,7,13-14H,5-6,8-9,15H2,1-2H3
InChIKeyYSWSWGIKZJGSPM-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.19
Rot. Bonds4

About [5-[(3,4-dimethylphenoxy)methyl]oxolan-2-yl]methanamine

[5-[(3,4-dimethylphenoxy)methyl]oxolan-2-yl]methanamine (PubChem CID 62452869) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [5-[(3,4-dimethylphenoxy)methyl]oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(3,4-dimethylphenoxy)methyl]oxolan-2-yl]methanamine
PubChem CID62452869
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[5-[(3,4-dimethylphenoxy)methyl]oxolan-2-yl]methanamine
SMILESCc1ccc(OCC2CCC(CN)O2)cc1C
InChIInChI=1S/C14H21NO2/c1-10-3-4-12(7-11(10)2)16-9-14-6-5-13(8-15)17-14/h3-4,7,13-14H,5-6,8-9,15H2,1-2H3
InChIKeyYSWSWGIKZJGSPM-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

5-[(3,4-dimethylphenoxy)methyl]oxolane-2-carboxylic acid
CID 62299571
[5-[(4-butan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine
CID 107668362
[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methanamine
CID 55077404
1-[5-[(4-bromo-3-methylphenoxy)methyl]oxolan-2-yl]-N-methylmethanamine
CID 83134356
[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine
CID 62455082
4-[(3,4-dimethylphenoxy)methyl]piperidine;hydrochloride
CID 56831093
(3S)-3-[(3,4-dimethylphenoxy)methyl]pyrrolidine
CID 86321220
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
[2-chloro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine
CID 103132539
[5-[(2-bromophenoxy)methyl]oxolan-2-yl]methanamine
CID 62451404
4-[4-(3,4-dimethylphenoxy)butoxy]-1,2-dimethylbenzene
CID 2227623
N-[[5-[(4-chloro-3-methylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 62449780

Frequently Asked Questions

What is the IUPAC name of [5-[(3,4-dimethylphenoxy)methyl]oxolan-2-yl]methanamine?
The IUPAC name of [5-[(3,4-dimethylphenoxy)methyl]oxolan-2-yl]methanamine (CID 62452869) is [5-[(3,4-dimethylphenoxy)methyl]oxolan-2-yl]methanamine.
What is the SMILES notation for [5-[(3,4-dimethylphenoxy)methyl]oxolan-2-yl]methanamine?
The canonical SMILES for [5-[(3,4-dimethylphenoxy)methyl]oxolan-2-yl]methanamine is Cc1ccc(OCC2CCC(CN)O2)cc1C.
What is the InChIKey of [5-[(3,4-dimethylphenoxy)methyl]oxolan-2-yl]methanamine?
The InChIKey is YSWSWGIKZJGSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-3-4-12(7-11(10)2)16-9-14-6-5-13(8-15)17-14/h3-4,7,13-14H,5-6,8-9,15H2,1-2H3.
What are the key properties of [5-[(3,4-dimethylphenoxy)methyl]oxolan-2-yl]methanamine?
[5-[(3,4-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-[(3,4-dimethylphenoxy)methyl]oxolan-2-yl]methanamine is sourced from PubChem (CID 62452869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).