1-[4-(3-fluorophenyl)oxan-4-yl]-N-methylmethanamine

C13H18FNO — CID 62596983

IUPAC1-[4-(3-fluorophenyl)oxan-4-yl]-N-methylmethanamine
SMILESCNCC1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C13H18FNO/c1-15-10-13(5-7-16-8-6-13)11-3-2-4-12(14)9-11/h2-4,9,15H,5-8,10H2,1H3
InChIKeyFSGKRRHDDOIXQN-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.09
Rot. Bonds3

About 1-[4-(3-fluorophenyl)oxan-4-yl]-N-methylmethanamine

1-[4-(3-fluorophenyl)oxan-4-yl]-N-methylmethanamine (PubChem CID 62596983) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-[4-(3-fluorophenyl)oxan-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(3-fluorophenyl)oxan-4-yl]-N-methylmethanamine
PubChem CID62596983
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-[4-(3-fluorophenyl)oxan-4-yl]-N-methylmethanamine
SMILESCNCC1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C13H18FNO/c1-15-10-13(5-7-16-8-6-13)11-3-2-4-12(14)9-11/h2-4,9,15H,5-8,10H2,1H3
InChIKeyFSGKRRHDDOIXQN-UHFFFAOYSA-N
XLogP2.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluorophenyl)oxan-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(3-fluorophenyl)oxan-4-yl]-N-methylmethanamine (CID 62596983) is 1-[4-(3-fluorophenyl)oxan-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(3-fluorophenyl)oxan-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(3-fluorophenyl)oxan-4-yl]-N-methylmethanamine is CNCC1(c2cccc(F)c2)CCOCC1.
What is the InChIKey of 1-[4-(3-fluorophenyl)oxan-4-yl]-N-methylmethanamine?
The InChIKey is FSGKRRHDDOIXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-15-10-13(5-7-16-8-6-13)11-3-2-4-12(14)9-11/h2-4,9,15H,5-8,10H2,1H3.
What are the key properties of 1-[4-(3-fluorophenyl)oxan-4-yl]-N-methylmethanamine?
1-[4-(3-fluorophenyl)oxan-4-yl]-N-methylmethanamine has a molecular weight of 223.29 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 1-[4-(3-fluorophenyl)oxan-4-yl]-N-methylmethanamine is sourced from PubChem (CID 62596983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).