1-(2-fluorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine

C13H19FN2O — CID 82733450

IUPAC1-(2-fluorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine
SMILESCN(C1CCOC1)C(CN)c1ccccc1F
InChIInChI=1S/C13H19FN2O/c1-16(10-6-7-17-9-10)13(8-15)11-4-2-3-5-12(11)14/h2-5,10,13H,6-9,15H2,1H3
InChIKeyJZEMHBLXVGEALW-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.55
Rot. Bonds4

About 1-(2-fluorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine

1-(2-fluorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 82733450) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine
PubChem CID82733450
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name1-(2-fluorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine
SMILESCN(C1CCOC1)C(CN)c1ccccc1F
InChIInChI=1S/C13H19FN2O/c1-16(10-6-7-17-9-10)13(8-15)11-4-2-3-5-12(11)14/h2-5,10,13H,6-9,15H2,1H3
InChIKeyJZEMHBLXVGEALW-UHFFFAOYSA-N
XLogP1.55
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of 1-(2-fluorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine (CID 82733450) is 1-(2-fluorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine is CN(C1CCOC1)C(CN)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is JZEMHBLXVGEALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-16(10-6-7-17-9-10)13(8-15)11-4-2-3-5-12(11)14/h2-5,10,13H,6-9,15H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine?
1-(2-fluorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 238.31 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 82733450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).