3-[[benzyl(ethyl)amino]methyl]oxolan-3-amine

C14H22N2O — CID 64893233

IUPAC3-[[benzyl(ethyl)amino]methyl]oxolan-3-amine
SMILESCCN(Cc1ccccc1)CC1(N)CCOC1
InChIInChI=1S/C14H22N2O/c1-2-16(10-13-6-4-3-5-7-13)11-14(15)8-9-17-12-14/h3-7H,2,8-12,15H2,1H3
InChIKeyHJORFBXCEIXTFR-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.63
Rot. Bonds5

About 3-[[benzyl(ethyl)amino]methyl]oxolan-3-amine

3-[[benzyl(ethyl)amino]methyl]oxolan-3-amine (PubChem CID 64893233) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-[[benzyl(ethyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name3-[[benzyl(ethyl)amino]methyl]oxolan-3-amine
PubChem CID64893233
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-[[benzyl(ethyl)amino]methyl]oxolan-3-amine
SMILESCCN(Cc1ccccc1)CC1(N)CCOC1
InChIInChI=1S/C14H22N2O/c1-2-16(10-13-6-4-3-5-7-13)11-14(15)8-9-17-12-14/h3-7H,2,8-12,15H2,1H3
InChIKeyHJORFBXCEIXTFR-UHFFFAOYSA-N
XLogP1.63
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(ethyl)amino]methyl]oxolan-3-amine?
The IUPAC name of 3-[[benzyl(ethyl)amino]methyl]oxolan-3-amine (CID 64893233) is 3-[[benzyl(ethyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for 3-[[benzyl(ethyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for 3-[[benzyl(ethyl)amino]methyl]oxolan-3-amine is CCN(Cc1ccccc1)CC1(N)CCOC1.
What is the InChIKey of 3-[[benzyl(ethyl)amino]methyl]oxolan-3-amine?
The InChIKey is HJORFBXCEIXTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-16(10-13-6-4-3-5-7-13)11-14(15)8-9-17-12-14/h3-7H,2,8-12,15H2,1H3.
What are the key properties of 3-[[benzyl(ethyl)amino]methyl]oxolan-3-amine?
3-[[benzyl(ethyl)amino]methyl]oxolan-3-amine has a molecular weight of 234.34 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(ethyl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 64893233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).