N-[[2-(ethoxymethyl)phenyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine

C18H29NO2 — CID 79911557

IUPACN-[[2-(ethoxymethyl)phenyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCCOCc1ccccc1CNC1CC(C)(C)OC1(C)C
InChIInChI=1S/C18H29NO2/c1-6-20-13-15-10-8-7-9-14(15)12-19-16-11-17(2,3)21-18(16,4)5/h7-10,16,19H,6,11-13H2,1-5H3
InChIKeyMQOJOCPZVPKXPL-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.66
Rot. Bonds6

About N-[[2-(ethoxymethyl)phenyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine

N-[[2-(ethoxymethyl)phenyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 79911557) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[2-(ethoxymethyl)phenyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound NameN-[[2-(ethoxymethyl)phenyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID79911557
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[[2-(ethoxymethyl)phenyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCCOCc1ccccc1CNC1CC(C)(C)OC1(C)C
InChIInChI=1S/C18H29NO2/c1-6-20-13-15-10-8-7-9-14(15)12-19-16-11-17(2,3)21-18(16,4)5/h7-10,16,19H,6,11-13H2,1-5H3
InChIKeyMQOJOCPZVPKXPL-UHFFFAOYSA-N
XLogP3.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine (CID 79911557) is N-[[2-(ethoxymethyl)phenyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for N-[[2-(ethoxymethyl)phenyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for N-[[2-(ethoxymethyl)phenyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine is CCOCc1ccccc1CNC1CC(C)(C)OC1(C)C.
What is the InChIKey of N-[[2-(ethoxymethyl)phenyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is MQOJOCPZVPKXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-6-20-13-15-10-8-7-9-14(15)12-19-16-11-17(2,3)21-18(16,4)5/h7-10,16,19H,6,11-13H2,1-5H3.
What are the key properties of N-[[2-(ethoxymethyl)phenyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine?
N-[[2-(ethoxymethyl)phenyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 291.44 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethoxymethyl)phenyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 79911557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).