[4-(4-fluorophenyl)oxan-4-yl]methanamine

C12H16FNO — CID 6484227

IUPAC[4-(4-fluorophenyl)oxan-4-yl]methanamine
SMILESNCC1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C12H16FNO/c13-11-3-1-10(2-4-11)12(9-14)5-7-15-8-6-12/h1-4H,5-9,14H2
InChIKeyRJNKDRCJNIVDII-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.83
Rot. Bonds2

About [4-(4-fluorophenyl)oxan-4-yl]methanamine

[4-(4-fluorophenyl)oxan-4-yl]methanamine (PubChem CID 6484227) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is [4-(4-fluorophenyl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(4-fluorophenyl)oxan-4-yl]methanamine
PubChem CID6484227
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name[4-(4-fluorophenyl)oxan-4-yl]methanamine
SMILESNCC1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C12H16FNO/c13-11-3-1-10(2-4-11)12(9-14)5-7-15-8-6-12/h1-4H,5-9,14H2
InChIKeyRJNKDRCJNIVDII-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)oxan-4-yl]methanamine?
The IUPAC name of [4-(4-fluorophenyl)oxan-4-yl]methanamine (CID 6484227) is [4-(4-fluorophenyl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(4-fluorophenyl)oxan-4-yl]methanamine?
The canonical SMILES for [4-(4-fluorophenyl)oxan-4-yl]methanamine is NCC1(c2ccc(F)cc2)CCOCC1.
What is the InChIKey of [4-(4-fluorophenyl)oxan-4-yl]methanamine?
The InChIKey is RJNKDRCJNIVDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c13-11-3-1-10(2-4-11)12(9-14)5-7-15-8-6-12/h1-4H,5-9,14H2.
What are the key properties of [4-(4-fluorophenyl)oxan-4-yl]methanamine?
[4-(4-fluorophenyl)oxan-4-yl]methanamine has a molecular weight of 209.26 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)oxan-4-yl]methanamine is sourced from PubChem (CID 6484227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).