4-[(3-fluorophenyl)methyl]oxan-4-amine

C12H16FNO — CID 63220684

IUPAC4-[(3-fluorophenyl)methyl]oxan-4-amine
SMILESNC1(Cc2cccc(F)c2)CCOCC1
InChIInChI=1S/C12H16FNO/c13-11-3-1-2-10(8-11)9-12(14)4-6-15-7-5-12/h1-3,8H,4-7,9,14H2
InChIKeyTVDYGDHSWDMGHA-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.88
Rot. Bonds2

About 4-[(3-fluorophenyl)methyl]oxan-4-amine

4-[(3-fluorophenyl)methyl]oxan-4-amine (PubChem CID 63220684) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]oxan-4-amine.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]oxan-4-amine
PubChem CID63220684
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name4-[(3-fluorophenyl)methyl]oxan-4-amine
SMILESNC1(Cc2cccc(F)c2)CCOCC1
InChIInChI=1S/C12H16FNO/c13-11-3-1-2-10(8-11)9-12(14)4-6-15-7-5-12/h1-3,8H,4-7,9,14H2
InChIKeyTVDYGDHSWDMGHA-UHFFFAOYSA-N
XLogP1.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl]oxan-4-amine?
The IUPAC name of 4-[(3-fluorophenyl)methyl]oxan-4-amine (CID 63220684) is 4-[(3-fluorophenyl)methyl]oxan-4-amine.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]oxan-4-amine?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]oxan-4-amine is NC1(Cc2cccc(F)c2)CCOCC1.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]oxan-4-amine?
The InChIKey is TVDYGDHSWDMGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c13-11-3-1-2-10(8-11)9-12(14)4-6-15-7-5-12/h1-3,8H,4-7,9,14H2.
What are the key properties of 4-[(3-fluorophenyl)methyl]oxan-4-amine?
4-[(3-fluorophenyl)methyl]oxan-4-amine has a molecular weight of 209.26 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methyl]oxan-4-amine is sourced from PubChem (CID 63220684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).