4-[(N-ethylanilino)methyl]-N-methyloxolan-3-amine

C14H22N2O — CID 66246160

IUPAC4-[(N-ethylanilino)methyl]-N-methyloxolan-3-amine
SMILESCCN(CC1COCC1NC)c1ccccc1
InChIInChI=1S/C14H22N2O/c1-3-16(13-7-5-4-6-8-13)9-12-10-17-11-14(12)15-2/h4-8,12,14-15H,3,9-11H2,1-2H3
InChIKeyNCIJMOITZYALHY-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.75
Rot. Bonds5

About 4-[(N-ethylanilino)methyl]-N-methyloxolan-3-amine

4-[(N-ethylanilino)methyl]-N-methyloxolan-3-amine (PubChem CID 66246160) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-[(N-ethylanilino)methyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound Name4-[(N-ethylanilino)methyl]-N-methyloxolan-3-amine
PubChem CID66246160
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-[(N-ethylanilino)methyl]-N-methyloxolan-3-amine
SMILESCCN(CC1COCC1NC)c1ccccc1
InChIInChI=1S/C14H22N2O/c1-3-16(13-7-5-4-6-8-13)9-12-10-17-11-14(12)15-2/h4-8,12,14-15H,3,9-11H2,1-2H3
InChIKeyNCIJMOITZYALHY-UHFFFAOYSA-N
XLogP1.75
TPSA24.50 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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(N-ethylanilino)methyl]-N-methyloxolan-3-amine?
The IUPAC name of 4-[(N-ethylanilino)methyl]-N-methyloxolan-3-amine (CID 66246160) is 4-[(N-ethylanilino)methyl]-N-methyloxolan-3-amine.
What is the SMILES notation for 4-[(N-ethylanilino)methyl]-N-methyloxolan-3-amine?
The canonical SMILES for 4-[(N-ethylanilino)methyl]-N-methyloxolan-3-amine is CCN(CC1COCC1NC)c1ccccc1.
What is the InChIKey of 4-[(N-ethylanilino)methyl]-N-methyloxolan-3-amine?
The InChIKey is NCIJMOITZYALHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-16(13-7-5-4-6-8-13)9-12-10-17-11-14(12)15-2/h4-8,12,14-15H,3,9-11H2,1-2H3.
What are the key properties of 4-[(N-ethylanilino)methyl]-N-methyloxolan-3-amine?
4-[(N-ethylanilino)methyl]-N-methyloxolan-3-amine has a molecular weight of 234.34 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N-ethylanilino)methyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 66246160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).