1-[2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-amine

C17H27NO2 — CID 114621071

IUPAC1-[2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-amine
SMILESCCC(N)c1ccccc1OC1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H27NO2/c1-6-13(18)12-9-7-8-10-14(12)19-15-11-16(2,3)20-17(15,4)5/h7-10,13,15H,6,11,18H2,1-5H3
InChIKeyGJMIHDRHRSLFIA-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.82
Rot. Bonds4

About 1-[2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-amine

1-[2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-amine (PubChem CID 114621071) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-amine.

Molecular Properties

Compound Name1-[2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-amine
PubChem CID114621071
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-[2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-amine
SMILESCCC(N)c1ccccc1OC1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H27NO2/c1-6-13(18)12-9-7-8-10-14(12)19-15-11-16(2,3)20-17(15,4)5/h7-10,13,15H,6,11,18H2,1-5H3
InChIKeyGJMIHDRHRSLFIA-UHFFFAOYSA-N
XLogP3.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-amine 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

(1S)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine
CID 104940261
1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]propan-1-amine
CID 114341276
(2-ethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623421
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
(1S)-1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-amine
CID 78999241
(1R)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol
CID 104940321
1-[2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-amine
CID 79899561
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
(1S)-1-[4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-ol
CID 104940314
[6-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxy-2-pyridinyl]methanamine
CID 114621146
[2-(difluoromethoxy)phenyl]-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105053018
(1S)-1-[2-(oxan-4-ylmethoxy)phenyl]propan-1-amine
CID 78932889

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-amine?
The IUPAC name of 1-[2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-amine (CID 114621071) is 1-[2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-amine.
What is the SMILES notation for 1-[2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-amine?
The canonical SMILES for 1-[2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-amine is CCC(N)c1ccccc1OC1CC(C)(C)OC1(C)C.
What is the InChIKey of 1-[2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-amine?
The InChIKey is GJMIHDRHRSLFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-6-13(18)12-9-7-8-10-14(12)19-15-11-16(2,3)20-17(15,4)5/h7-10,13,15H,6,11,18H2,1-5H3.
What are the key properties of 1-[2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-amine?
1-[2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-amine is sourced from PubChem (CID 114621071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).