1-[4-(2-methylpropyl)phenyl]-2-(oxolan-3-yloxy)ethanamine

C16H25NO2 — CID 63558840

IUPAC1-[4-(2-methylpropyl)phenyl]-2-(oxolan-3-yloxy)ethanamine
SMILESCC(C)Cc1ccc(C(N)COC2CCOC2)cc1
InChIInChI=1S/C16H25NO2/c1-12(2)9-13-3-5-14(6-4-13)16(17)11-19-15-7-8-18-10-15/h3-6,12,15-16H,7-11,17H2,1-2H3
InChIKeyGVTYMNPGTIFGPZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.69
Rot. Bonds6

About 1-[4-(2-methylpropyl)phenyl]-2-(oxolan-3-yloxy)ethanamine

1-[4-(2-methylpropyl)phenyl]-2-(oxolan-3-yloxy)ethanamine (PubChem CID 63558840) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)phenyl]-2-(oxolan-3-yloxy)ethanamine.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)phenyl]-2-(oxolan-3-yloxy)ethanamine
PubChem CID63558840
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[4-(2-methylpropyl)phenyl]-2-(oxolan-3-yloxy)ethanamine
SMILESCC(C)Cc1ccc(C(N)COC2CCOC2)cc1
InChIInChI=1S/C16H25NO2/c1-12(2)9-13-3-5-14(6-4-13)16(17)11-19-15-7-8-18-10-15/h3-6,12,15-16H,7-11,17H2,1-2H3
InChIKeyGVTYMNPGTIFGPZ-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2-methylpropyl)phenyl]-2-(oxolan-3-yloxy)ethanamine 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

1-(4-ethylphenyl)-2-(oxolan-3-yloxy)ethanamine
CID 63559434
1-(4-fluorophenyl)-2-(oxolan-3-yloxy)ethanamine
CID 107523657
1-(4-methylphenyl)-2-(oxan-4-yloxy)ethanamine
CID 61287973
2-methoxy-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 16786344
N-methyl-1-[4-(2-methylpropyl)phenyl]-2-(oxetan-3-yloxy)ethanamine
CID 102606147
1-[4-(2-methylpropyl)phenyl]-2-morpholin-3-ylethanamine
CID 116941475
2-(2-cyclobutylethoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 106200916
(3R)-3-[4-(2-methylpropyl)phenoxy]oxane
CID 178142322
3-amino-N-[1-(oxolan-3-yloxy)propan-2-yl]-3-phenylpropanamide;hydrochloride
CID 119952304
[4-(2-methylpropyl)phenyl]-morpholin-3-ylmethanamine
CID 116941120
2-cyclobutyloxy-1-(4-propylphenyl)ethanamine
CID 62139683
1-[4-(2-methylpropyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine
CID 62385198

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)phenyl]-2-(oxolan-3-yloxy)ethanamine?
The IUPAC name of 1-[4-(2-methylpropyl)phenyl]-2-(oxolan-3-yloxy)ethanamine (CID 63558840) is 1-[4-(2-methylpropyl)phenyl]-2-(oxolan-3-yloxy)ethanamine.
What is the SMILES notation for 1-[4-(2-methylpropyl)phenyl]-2-(oxolan-3-yloxy)ethanamine?
The canonical SMILES for 1-[4-(2-methylpropyl)phenyl]-2-(oxolan-3-yloxy)ethanamine is CC(C)Cc1ccc(C(N)COC2CCOC2)cc1.
What is the InChIKey of 1-[4-(2-methylpropyl)phenyl]-2-(oxolan-3-yloxy)ethanamine?
The InChIKey is GVTYMNPGTIFGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)9-13-3-5-14(6-4-13)16(17)11-19-15-7-8-18-10-15/h3-6,12,15-16H,7-11,17H2,1-2H3.
What are the key properties of 1-[4-(2-methylpropyl)phenyl]-2-(oxolan-3-yloxy)ethanamine?
1-[4-(2-methylpropyl)phenyl]-2-(oxolan-3-yloxy)ethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)phenyl]-2-(oxolan-3-yloxy)ethanamine is sourced from PubChem (CID 63558840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).