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

C12H16FNO — CID 71649114

IUPAC3-[(3-fluorophenyl)methyl]oxan-4-amine
SMILESNC1CCOCC1Cc1cccc(F)c1
InChIInChI=1S/C12H16FNO/c13-11-3-1-2-9(7-11)6-10-8-15-5-4-12(10)14/h1-3,7,10,12H,4-6,8,14H2
InChIKeyKLBFYQWSIWEERV-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.73
Rot. Bonds2

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

3-[(3-fluorophenyl)methyl]oxan-4-amine (PubChem CID 71649114) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]oxan-4-amine.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]oxan-4-amine
PubChem CID71649114
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name3-[(3-fluorophenyl)methyl]oxan-4-amine
SMILESNC1CCOCC1Cc1cccc(F)c1
InChIInChI=1S/C12H16FNO/c13-11-3-1-2-9(7-11)6-10-8-15-5-4-12(10)14/h1-3,7,10,12H,4-6,8,14H2
InChIKeyKLBFYQWSIWEERV-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]oxan-4-amine?
The IUPAC name of 3-[(3-fluorophenyl)methyl]oxan-4-amine (CID 71649114) is 3-[(3-fluorophenyl)methyl]oxan-4-amine.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]oxan-4-amine?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]oxan-4-amine is NC1CCOCC1Cc1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]oxan-4-amine?
The InChIKey is KLBFYQWSIWEERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c13-11-3-1-2-9(7-11)6-10-8-15-5-4-12(10)14/h1-3,7,10,12H,4-6,8,14H2.
What are the key properties of 3-[(3-fluorophenyl)methyl]oxan-4-amine?
3-[(3-fluorophenyl)methyl]oxan-4-amine has a molecular weight of 209.26 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]oxan-4-amine is sourced from PubChem (CID 71649114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).