3-[[(2-fluorophenyl)methyl-methylamino]methyl]oxolan-3-amine

C13H19FN2O — CID 64893644

IUPAC3-[[(2-fluorophenyl)methyl-methylamino]methyl]oxolan-3-amine
SMILESCN(Cc1ccccc1F)CC1(N)CCOC1
InChIInChI=1S/C13H19FN2O/c1-16(9-13(15)6-7-17-10-13)8-11-4-2-3-5-12(11)14/h2-5H,6-10,15H2,1H3
InChIKeyUDSKBWKELLSBKS-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.38
Rot. Bonds4

About 3-[[(2-fluorophenyl)methyl-methylamino]methyl]oxolan-3-amine

3-[[(2-fluorophenyl)methyl-methylamino]methyl]oxolan-3-amine (PubChem CID 64893644) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-[[(2-fluorophenyl)methyl-methylamino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name3-[[(2-fluorophenyl)methyl-methylamino]methyl]oxolan-3-amine
PubChem CID64893644
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name3-[[(2-fluorophenyl)methyl-methylamino]methyl]oxolan-3-amine
SMILESCN(Cc1ccccc1F)CC1(N)CCOC1
InChIInChI=1S/C13H19FN2O/c1-16(9-13(15)6-7-17-10-13)8-11-4-2-3-5-12(11)14/h2-5H,6-10,15H2,1H3
InChIKeyUDSKBWKELLSBKS-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2-fluorophenyl)methyl-methylamino]methyl]oxolan-3-amine?
The IUPAC name of 3-[[(2-fluorophenyl)methyl-methylamino]methyl]oxolan-3-amine (CID 64893644) is 3-[[(2-fluorophenyl)methyl-methylamino]methyl]oxolan-3-amine.
What is the SMILES notation for 3-[[(2-fluorophenyl)methyl-methylamino]methyl]oxolan-3-amine?
The canonical SMILES for 3-[[(2-fluorophenyl)methyl-methylamino]methyl]oxolan-3-amine is CN(Cc1ccccc1F)CC1(N)CCOC1.
What is the InChIKey of 3-[[(2-fluorophenyl)methyl-methylamino]methyl]oxolan-3-amine?
The InChIKey is UDSKBWKELLSBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-16(9-13(15)6-7-17-10-13)8-11-4-2-3-5-12(11)14/h2-5H,6-10,15H2,1H3.
What are the key properties of 3-[[(2-fluorophenyl)methyl-methylamino]methyl]oxolan-3-amine?
3-[[(2-fluorophenyl)methyl-methylamino]methyl]oxolan-3-amine has a molecular weight of 238.31 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-fluorophenyl)methyl-methylamino]methyl]oxolan-3-amine is sourced from PubChem (CID 64893644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).