3-(aminomethyl)-N-ethyl-N-(2-methylphenyl)oxolan-3-amine

C14H22N2O — CID 63335056

IUPAC3-(aminomethyl)-N-ethyl-N-(2-methylphenyl)oxolan-3-amine
SMILESCCN(c1ccccc1C)C1(CN)CCOC1
InChIInChI=1S/C14H22N2O/c1-3-16(13-7-5-4-6-12(13)2)14(10-15)8-9-17-11-14/h4-7H,3,8-11,15H2,1-2H3
InChIKeyRIKLIRLEYXFMIM-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.94
Rot. Bonds4

About 3-(aminomethyl)-N-ethyl-N-(2-methylphenyl)oxolan-3-amine

3-(aminomethyl)-N-ethyl-N-(2-methylphenyl)oxolan-3-amine (PubChem CID 63335056) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(aminomethyl)-N-ethyl-N-(2-methylphenyl)oxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-ethyl-N-(2-methylphenyl)oxolan-3-amine
PubChem CID63335056
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-(aminomethyl)-N-ethyl-N-(2-methylphenyl)oxolan-3-amine
SMILESCCN(c1ccccc1C)C1(CN)CCOC1
InChIInChI=1S/C14H22N2O/c1-3-16(13-7-5-4-6-12(13)2)14(10-15)8-9-17-11-14/h4-7H,3,8-11,15H2,1-2H3
InChIKeyRIKLIRLEYXFMIM-UHFFFAOYSA-N
XLogP1.94
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-ethyl-N-(2-methylphenyl)oxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-ethyl-N-(2-methylphenyl)oxolan-3-amine (CID 63335056) is 3-(aminomethyl)-N-ethyl-N-(2-methylphenyl)oxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-ethyl-N-(2-methylphenyl)oxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-ethyl-N-(2-methylphenyl)oxolan-3-amine is CCN(c1ccccc1C)C1(CN)CCOC1.
What is the InChIKey of 3-(aminomethyl)-N-ethyl-N-(2-methylphenyl)oxolan-3-amine?
The InChIKey is RIKLIRLEYXFMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-16(13-7-5-4-6-12(13)2)14(10-15)8-9-17-11-14/h4-7H,3,8-11,15H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-ethyl-N-(2-methylphenyl)oxolan-3-amine?
3-(aminomethyl)-N-ethyl-N-(2-methylphenyl)oxolan-3-amine has a molecular weight of 234.34 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-ethyl-N-(2-methylphenyl)oxolan-3-amine is sourced from PubChem (CID 63335056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).