3-[(N-ethyl-4-fluoroanilino)methyl]oxolan-3-amine

C13H19FN2O — CID 64892421

IUPAC3-[(N-ethyl-4-fluoroanilino)methyl]oxolan-3-amine
SMILESCCN(CC1(N)CCOC1)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O/c1-2-16(9-13(15)7-8-17-10-13)12-5-3-11(14)4-6-12/h3-6H,2,7-10,15H2,1H3
InChIKeyRIAJRBBUSQVVAL-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.77
Rot. Bonds4

About 3-[(N-ethyl-4-fluoroanilino)methyl]oxolan-3-amine

3-[(N-ethyl-4-fluoroanilino)methyl]oxolan-3-amine (PubChem CID 64892421) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-[(N-ethyl-4-fluoroanilino)methyl]oxolan-3-amine.

Molecular Properties

Compound Name3-[(N-ethyl-4-fluoroanilino)methyl]oxolan-3-amine
PubChem CID64892421
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name3-[(N-ethyl-4-fluoroanilino)methyl]oxolan-3-amine
SMILESCCN(CC1(N)CCOC1)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O/c1-2-16(9-13(15)7-8-17-10-13)12-5-3-11(14)4-6-12/h3-6H,2,7-10,15H2,1H3
InChIKeyRIAJRBBUSQVVAL-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(N-ethyl-4-fluoroanilino)methyl]oxolan-3-amine?
The IUPAC name of 3-[(N-ethyl-4-fluoroanilino)methyl]oxolan-3-amine (CID 64892421) is 3-[(N-ethyl-4-fluoroanilino)methyl]oxolan-3-amine.
What is the SMILES notation for 3-[(N-ethyl-4-fluoroanilino)methyl]oxolan-3-amine?
The canonical SMILES for 3-[(N-ethyl-4-fluoroanilino)methyl]oxolan-3-amine is CCN(CC1(N)CCOC1)c1ccc(F)cc1.
What is the InChIKey of 3-[(N-ethyl-4-fluoroanilino)methyl]oxolan-3-amine?
The InChIKey is RIAJRBBUSQVVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-2-16(9-13(15)7-8-17-10-13)12-5-3-11(14)4-6-12/h3-6H,2,7-10,15H2,1H3.
What are the key properties of 3-[(N-ethyl-4-fluoroanilino)methyl]oxolan-3-amine?
3-[(N-ethyl-4-fluoroanilino)methyl]oxolan-3-amine has a molecular weight of 238.31 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(N-ethyl-4-fluoroanilino)methyl]oxolan-3-amine is sourced from PubChem (CID 64892421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).