4-(aminomethyl)-2-ethyl-N-(4-fluorophenyl)-2-methyloxan-4-amine

C15H23FN2O — CID 65377702

IUPAC4-(aminomethyl)-2-ethyl-N-(4-fluorophenyl)-2-methyloxan-4-amine
SMILESCCC1(C)CC(CN)(Nc2ccc(F)cc2)CCO1
InChIInChI=1S/C15H23FN2O/c1-3-14(2)10-15(11-17,8-9-19-14)18-13-6-4-12(16)5-7-13/h4-7,18H,3,8-11,17H2,1-2H3
InChIKeyUTYDBNWJXLBFHO-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.91
Rot. Bonds4

About 4-(aminomethyl)-2-ethyl-N-(4-fluorophenyl)-2-methyloxan-4-amine

4-(aminomethyl)-2-ethyl-N-(4-fluorophenyl)-2-methyloxan-4-amine (PubChem CID 65377702) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-(aminomethyl)-2-ethyl-N-(4-fluorophenyl)-2-methyloxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-2-ethyl-N-(4-fluorophenyl)-2-methyloxan-4-amine
PubChem CID65377702
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name4-(aminomethyl)-2-ethyl-N-(4-fluorophenyl)-2-methyloxan-4-amine
SMILESCCC1(C)CC(CN)(Nc2ccc(F)cc2)CCO1
InChIInChI=1S/C15H23FN2O/c1-3-14(2)10-15(11-17,8-9-19-14)18-13-6-4-12(16)5-7-13/h4-7,18H,3,8-11,17H2,1-2H3
InChIKeyUTYDBNWJXLBFHO-UHFFFAOYSA-N
XLogP2.91
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-2-ethyl-N-(4-fluorophenyl)-2-methyloxan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-ethyl-N-(4-fluorophenyl)-2-methyloxan-4-amine?
The IUPAC name of 4-(aminomethyl)-2-ethyl-N-(4-fluorophenyl)-2-methyloxan-4-amine (CID 65377702) is 4-(aminomethyl)-2-ethyl-N-(4-fluorophenyl)-2-methyloxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-2-ethyl-N-(4-fluorophenyl)-2-methyloxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-2-ethyl-N-(4-fluorophenyl)-2-methyloxan-4-amine is CCC1(C)CC(CN)(Nc2ccc(F)cc2)CCO1.
What is the InChIKey of 4-(aminomethyl)-2-ethyl-N-(4-fluorophenyl)-2-methyloxan-4-amine?
The InChIKey is UTYDBNWJXLBFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-14(2)10-15(11-17,8-9-19-14)18-13-6-4-12(16)5-7-13/h4-7,18H,3,8-11,17H2,1-2H3.
What are the key properties of 4-(aminomethyl)-2-ethyl-N-(4-fluorophenyl)-2-methyloxan-4-amine?
4-(aminomethyl)-2-ethyl-N-(4-fluorophenyl)-2-methyloxan-4-amine has a molecular weight of 266.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-ethyl-N-(4-fluorophenyl)-2-methyloxan-4-amine is sourced from PubChem (CID 65377702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).