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

C15H23FN2O — CID 103059221

IUPAC3-[(N-ethyl-4-fluoroanilino)methyl]-N-methyloxan-4-amine
SMILESCCN(CC1COCCC1NC)c1ccc(F)cc1
InChIInChI=1S/C15H23FN2O/c1-3-18(14-6-4-13(16)5-7-14)10-12-11-19-9-8-15(12)17-2/h4-7,12,15,17H,3,8-11H2,1-2H3
InChIKeyZLECSEUELJYRID-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.28
Rot. Bonds5

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

3-[(N-ethyl-4-fluoroanilino)methyl]-N-methyloxan-4-amine (PubChem CID 103059221) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 3-[(N-ethyl-4-fluoroanilino)methyl]-N-methyloxan-4-amine.

Molecular Properties

Compound Name3-[(N-ethyl-4-fluoroanilino)methyl]-N-methyloxan-4-amine
PubChem CID103059221
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name3-[(N-ethyl-4-fluoroanilino)methyl]-N-methyloxan-4-amine
SMILESCCN(CC1COCCC1NC)c1ccc(F)cc1
InChIInChI=1S/C15H23FN2O/c1-3-18(14-6-4-13(16)5-7-14)10-12-11-19-9-8-15(12)17-2/h4-7,12,15,17H,3,8-11H2,1-2H3
InChIKeyZLECSEUELJYRID-UHFFFAOYSA-N
XLogP2.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.28
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]-N-methyloxan-4-amine?
The IUPAC name of 3-[(N-ethyl-4-fluoroanilino)methyl]-N-methyloxan-4-amine (CID 103059221) is 3-[(N-ethyl-4-fluoroanilino)methyl]-N-methyloxan-4-amine.
What is the SMILES notation for 3-[(N-ethyl-4-fluoroanilino)methyl]-N-methyloxan-4-amine?
The canonical SMILES for 3-[(N-ethyl-4-fluoroanilino)methyl]-N-methyloxan-4-amine is CCN(CC1COCCC1NC)c1ccc(F)cc1.
What is the InChIKey of 3-[(N-ethyl-4-fluoroanilino)methyl]-N-methyloxan-4-amine?
The InChIKey is ZLECSEUELJYRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-18(14-6-4-13(16)5-7-14)10-12-11-19-9-8-15(12)17-2/h4-7,12,15,17H,3,8-11H2,1-2H3.
What are the key properties of 3-[(N-ethyl-4-fluoroanilino)methyl]-N-methyloxan-4-amine?
3-[(N-ethyl-4-fluoroanilino)methyl]-N-methyloxan-4-amine has a molecular weight of 266.36 g/mol, XLogP of 2.28, 5 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]-N-methyloxan-4-amine is sourced from PubChem (CID 103059221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).