[4-[(3-fluorophenyl)methoxymethyl]phenyl]methanamine

C15H16FNO — CID 46223590

IUPAC[4-[(3-fluorophenyl)methoxymethyl]phenyl]methanamine
SMILESNCc1ccc(COCc2cccc(F)c2)cc1
InChIInChI=1S/C15H16FNO/c16-15-3-1-2-14(8-15)11-18-10-13-6-4-12(9-17)5-7-13/h1-8H,9-11,17H2
InChIKeyLNIOFNGVUYBUOM-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.00
Rot. Bonds5

About [4-[(3-fluorophenyl)methoxymethyl]phenyl]methanamine

[4-[(3-fluorophenyl)methoxymethyl]phenyl]methanamine (PubChem CID 46223590) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is [4-[(3-fluorophenyl)methoxymethyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(3-fluorophenyl)methoxymethyl]phenyl]methanamine
PubChem CID46223590
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name[4-[(3-fluorophenyl)methoxymethyl]phenyl]methanamine
SMILESNCc1ccc(COCc2cccc(F)c2)cc1
InChIInChI=1S/C15H16FNO/c16-15-3-1-2-14(8-15)11-18-10-13-6-4-12(9-17)5-7-13/h1-8H,9-11,17H2
InChIKeyLNIOFNGVUYBUOM-UHFFFAOYSA-N
XLogP3.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluorophenyl)methoxymethyl]phenyl]methanamine?
The IUPAC name of [4-[(3-fluorophenyl)methoxymethyl]phenyl]methanamine (CID 46223590) is [4-[(3-fluorophenyl)methoxymethyl]phenyl]methanamine.
What is the SMILES notation for [4-[(3-fluorophenyl)methoxymethyl]phenyl]methanamine?
The canonical SMILES for [4-[(3-fluorophenyl)methoxymethyl]phenyl]methanamine is NCc1ccc(COCc2cccc(F)c2)cc1.
What is the InChIKey of [4-[(3-fluorophenyl)methoxymethyl]phenyl]methanamine?
The InChIKey is LNIOFNGVUYBUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c16-15-3-1-2-14(8-15)11-18-10-13-6-4-12(9-17)5-7-13/h1-8H,9-11,17H2.
What are the key properties of [4-[(3-fluorophenyl)methoxymethyl]phenyl]methanamine?
[4-[(3-fluorophenyl)methoxymethyl]phenyl]methanamine has a molecular weight of 245.30 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-fluorophenyl)methoxymethyl]phenyl]methanamine is sourced from PubChem (CID 46223590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).