[5-[(4-butan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine

C16H25NO2 — CID 107668362

IUPAC[5-[(4-butan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine
SMILESCCC(C)c1ccc(OCC2CCC(CN)O2)cc1
InChIInChI=1S/C16H25NO2/c1-3-12(2)13-4-6-14(7-5-13)18-11-16-9-8-15(10-17)19-16/h4-7,12,15-16H,3,8-11,17H2,1-2H3
InChIKeyFOLISUFUVDIZDM-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.09
Rot. Bonds6

About [5-[(4-butan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine

[5-[(4-butan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine (PubChem CID 107668362) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [5-[(4-butan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(4-butan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine
PubChem CID107668362
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[5-[(4-butan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine
SMILESCCC(C)c1ccc(OCC2CCC(CN)O2)cc1
InChIInChI=1S/C16H25NO2/c1-3-12(2)13-4-6-14(7-5-13)18-11-16-9-8-15(10-17)19-16/h4-7,12,15-16H,3,8-11,17H2,1-2H3
InChIKeyFOLISUFUVDIZDM-UHFFFAOYSA-N
XLogP3.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-[(4-butan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[(3,4-dimethylphenoxy)methyl]oxolan-2-yl]methanamine
CID 62452869
2-[(4-butan-2-ylphenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 107668992
(1S)-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103133228
1-butan-2-yl-4-(cyclopropylmethoxymethoxy)benzene
CID 107669089
1-butan-2-yl-4-(2-cyclopropyloxyethoxy)benzene
CID 166703301
2-(4-butan-2-ylphenoxy)-N-(cyclopropylmethyl)ethanamine
CID 107668609
N-ethyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103132895
(3R)-3-[[4-[(2R)-butan-2-yl]phenoxy]methyl]piperidine
CID 26190819
2-(4-butan-2-ylphenoxy)-N-methylethanamine
CID 107664179
1-(4-butan-2-ylphenoxy)butan-2-amine
CID 107664163
2-(4-butan-2-ylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 107664229
[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine
CID 62455082

Frequently Asked Questions

What is the IUPAC name of [5-[(4-butan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine?
The IUPAC name of [5-[(4-butan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine (CID 107668362) is [5-[(4-butan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine.
What is the SMILES notation for [5-[(4-butan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine?
The canonical SMILES for [5-[(4-butan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine is CCC(C)c1ccc(OCC2CCC(CN)O2)cc1.
What is the InChIKey of [5-[(4-butan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine?
The InChIKey is FOLISUFUVDIZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-12(2)13-4-6-14(7-5-13)18-11-16-9-8-15(10-17)19-16/h4-7,12,15-16H,3,8-11,17H2,1-2H3.
What are the key properties of [5-[(4-butan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine?
[5-[(4-butan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine has a molecular weight of 263.38 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-butan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine is sourced from PubChem (CID 107668362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).