2,2,5,5-tetramethyl-N-(4-propoxyphenyl)oxolan-3-amine

C17H27NO2 — CID 79927394

IUPAC2,2,5,5-tetramethyl-N-(4-propoxyphenyl)oxolan-3-amine
SMILESCCCOc1ccc(NC2CC(C)(C)OC2(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-6-11-19-14-9-7-13(8-10-14)18-15-12-16(2,3)20-17(15,4)5/h7-10,15,18H,6,11-12H2,1-5H3
InChIKeyDLEBFMXKQTZDSX-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.23
Rot. Bonds5

About 2,2,5,5-tetramethyl-N-(4-propoxyphenyl)oxolan-3-amine

2,2,5,5-tetramethyl-N-(4-propoxyphenyl)oxolan-3-amine (PubChem CID 79927394) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-(4-propoxyphenyl)oxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-(4-propoxyphenyl)oxolan-3-amine
PubChem CID79927394
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2,2,5,5-tetramethyl-N-(4-propoxyphenyl)oxolan-3-amine
SMILESCCCOc1ccc(NC2CC(C)(C)OC2(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-6-11-19-14-9-7-13(8-10-14)18-15-12-16(2,3)20-17(15,4)5/h7-10,15,18H,6,11-12H2,1-5H3
InChIKeyDLEBFMXKQTZDSX-UHFFFAOYSA-N
XLogP4.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(4-propoxyanilino)cyclohexan-1-ol
CID 106594574
N-(4-propoxyphenyl)piperidin-4-amine
CID 62327639
N-[(5,5-dimethyloxolan-2-yl)methyl]-4-propoxyaniline
CID 116521401
2,2-dimethyl-N-[(4-propoxyphenyl)methyl]oxan-4-amine
CID 115563628
N-(3,4-dimethylcyclohexyl)-4-propoxyaniline
CID 64745627
3-N-(2,2-dimethylcyclopropyl)-5-propoxybenzene-1,3-diamine
CID 80738401
N-(4-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 55194098
1,5-dimethyl-N-(4-propoxyphenyl)pyrrolidin-3-amine
CID 81466938
(3R)-3-(4-ethylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 7928162
N-propan-2-yl-4-propoxyaniline
CID 21311809
N-(1,1-difluoropropan-2-yl)-4-propoxyaniline
CID 102869475
2-(methylamino)-N-(4-propoxyphenyl)acetamide
CID 54820943

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-N-(4-propoxyphenyl)oxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-N-(4-propoxyphenyl)oxolan-3-amine (CID 79927394) is 2,2,5,5-tetramethyl-N-(4-propoxyphenyl)oxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-(4-propoxyphenyl)oxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-N-(4-propoxyphenyl)oxolan-3-amine is CCCOc1ccc(NC2CC(C)(C)OC2(C)C)cc1.
What is the InChIKey of 2,2,5,5-tetramethyl-N-(4-propoxyphenyl)oxolan-3-amine?
The InChIKey is DLEBFMXKQTZDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-6-11-19-14-9-7-13(8-10-14)18-15-12-16(2,3)20-17(15,4)5/h7-10,15,18H,6,11-12H2,1-5H3.
What are the key properties of 2,2,5,5-tetramethyl-N-(4-propoxyphenyl)oxolan-3-amine?
2,2,5,5-tetramethyl-N-(4-propoxyphenyl)oxolan-3-amine has a molecular weight of 277.41 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-(4-propoxyphenyl)oxolan-3-amine is sourced from PubChem (CID 79927394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).