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

C12H16FNO — CID 43608600

IUPACN-[(3-fluorophenyl)methyl]oxan-4-amine
SMILESFc1cccc(CNC2CCOCC2)c1
InChIInChI=1S/C12H16FNO/c13-11-3-1-2-10(8-11)9-14-12-4-6-15-7-5-12/h1-3,8,12,14H,4-7,9H2
InChIKeyLKMOFEJZHHSYIK-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.09
Rot. Bonds3

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

N-[(3-fluorophenyl)methyl]oxan-4-amine (PubChem CID 43608600) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]oxan-4-amine
PubChem CID43608600
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC NameN-[(3-fluorophenyl)methyl]oxan-4-amine
SMILESFc1cccc(CNC2CCOCC2)c1
InChIInChI=1S/C12H16FNO/c13-11-3-1-2-10(8-11)9-14-12-4-6-15-7-5-12/h1-3,8,12,14H,4-7,9H2
InChIKeyLKMOFEJZHHSYIK-UHFFFAOYSA-N
XLogP2.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]oxan-4-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]oxan-4-amine (CID 43608600) is N-[(3-fluorophenyl)methyl]oxan-4-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]oxan-4-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]oxan-4-amine is Fc1cccc(CNC2CCOCC2)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]oxan-4-amine?
The InChIKey is LKMOFEJZHHSYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c13-11-3-1-2-10(8-11)9-14-12-4-6-15-7-5-12/h1-3,8,12,14H,4-7,9H2.
What are the key properties of N-[(3-fluorophenyl)methyl]oxan-4-amine?
N-[(3-fluorophenyl)methyl]oxan-4-amine has a molecular weight of 209.26 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]oxan-4-amine is sourced from PubChem (CID 43608600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).