N-benzyl-4-(4-fluorophenyl)oxan-4-amine

C18H20FNO — CID 72020763

IUPACN-benzyl-4-(4-fluorophenyl)oxan-4-amine
SMILESC1COCCC1(C2=CC=C(C=C2)F)NCC3=CC=CC=C3
InChIInChI=1S/C18H20FNO/c19-17-8-6-16(7-9-17)18(10-12-21-13-11-18)20-14-15-4-2-1-3-5-15/h1-9,20H,10-14H2
InChIKeyODYFYRGRHIMMCE-UHFFFAOYSA-N
MW285.40 g/mol
LogP3.10
Rot. Bonds4

About N-benzyl-4-(4-fluorophenyl)oxan-4-amine

N-benzyl-4-(4-fluorophenyl)oxan-4-amine (PubChem CID 72020763) has the molecular formula C18H20FNO and a molecular weight of 285.40 g/mol. Its IUPAC name is N-benzyl-4-(4-fluorophenyl)oxan-4-amine.

Molecular Properties

Compound NameN-benzyl-4-(4-fluorophenyl)oxan-4-amine
PubChem CID72020763
Molecular FormulaC18H20FNO
Molecular Weight285.40 g/mol
Exact Mass285.15
IUPAC NameN-benzyl-4-(4-fluorophenyl)oxan-4-amine
SMILESC1COCCC1(C2=CC=C(C=C2)F)NCC3=CC=CC=C3
InChIInChI=1S/C18H20FNO/c19-17-8-6-16(7-9-17)18(10-12-21-13-11-18)20-14-15-4-2-1-3-5-15/h1-9,20H,10-14H2
InChIKeyODYFYRGRHIMMCE-UHFFFAOYSA-N
XLogP3.10
TPSA21.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity302

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-fluorophenyl)oxan-4-amine?
The IUPAC name of N-benzyl-4-(4-fluorophenyl)oxan-4-amine (CID 72020763) is N-benzyl-4-(4-fluorophenyl)oxan-4-amine.
What is the SMILES notation for N-benzyl-4-(4-fluorophenyl)oxan-4-amine?
The canonical SMILES for N-benzyl-4-(4-fluorophenyl)oxan-4-amine is C1COCCC1(C2=CC=C(C=C2)F)NCC3=CC=CC=C3.
What is the InChIKey of N-benzyl-4-(4-fluorophenyl)oxan-4-amine?
The InChIKey is ODYFYRGRHIMMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c19-17-8-6-16(7-9-17)18(10-12-21-13-11-18)20-14-15-4-2-1-3-5-15/h1-9,20H,10-14H2.
What are the key properties of N-benzyl-4-(4-fluorophenyl)oxan-4-amine?
N-benzyl-4-(4-fluorophenyl)oxan-4-amine has a molecular weight of 285.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-fluorophenyl)oxan-4-amine is sourced from PubChem (CID 72020763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).