[4-[(4-fluorophenoxy)methyl]oxan-4-yl]methanamine

C13H18FNO2 — CID 117051089

IUPAC[4-[(4-fluorophenoxy)methyl]oxan-4-yl]methanamine
SMILESNCC1(COc2ccc(F)cc2)CCOCC1
InChIInChI=1S/C13H18FNO2/c14-11-1-3-12(4-2-11)17-10-13(9-15)5-7-16-8-6-13/h1-4H,5-10,15H2
InChIKeyIANVVTKILFGGAG-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.96
Rot. Bonds4

About [4-[(4-fluorophenoxy)methyl]oxan-4-yl]methanamine

[4-[(4-fluorophenoxy)methyl]oxan-4-yl]methanamine (PubChem CID 117051089) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is [4-[(4-fluorophenoxy)methyl]oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-[(4-fluorophenoxy)methyl]oxan-4-yl]methanamine
PubChem CID117051089
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name[4-[(4-fluorophenoxy)methyl]oxan-4-yl]methanamine
SMILESNCC1(COc2ccc(F)cc2)CCOCC1
InChIInChI=1S/C13H18FNO2/c14-11-1-3-12(4-2-11)17-10-13(9-15)5-7-16-8-6-13/h1-4H,5-10,15H2
InChIKeyIANVVTKILFGGAG-UHFFFAOYSA-N
XLogP1.96
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 14025825
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3-Fluoro-2-(phenoxymethyl)prop-2-en-1-amine
CID 54223245
3-Fluoro-2-[(4-fluorophenoxy)methyl]prop-2-en-1-amine
CID 54233584
4-(4-Fluorophenoxy)butan-1-amine
CID 7131478
4-Phenoxybutan-1-amine
CID 116240
4-[(3-Fluorophenoxy)methyl]piperidine
CID 17178045
4-Phenoxybutan-1-amine--hydrogen chloride (1/1)
CID 116239
1-[1-(Phenoxymethyl)cyclopropyl]methanamine
CID 28064583
1-(2-Amino-3,3-dimethylbutoxy)-2-fluorobenzene
CID 16791376
(2R)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-amine
CID 30819967
3-(2-Fluorophenoxy)propylamine
CID 7131555

Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluorophenoxy)methyl]oxan-4-yl]methanamine?
The IUPAC name of [4-[(4-fluorophenoxy)methyl]oxan-4-yl]methanamine (CID 117051089) is [4-[(4-fluorophenoxy)methyl]oxan-4-yl]methanamine.
What is the SMILES notation for [4-[(4-fluorophenoxy)methyl]oxan-4-yl]methanamine?
The canonical SMILES for [4-[(4-fluorophenoxy)methyl]oxan-4-yl]methanamine is NCC1(COc2ccc(F)cc2)CCOCC1.
What is the InChIKey of [4-[(4-fluorophenoxy)methyl]oxan-4-yl]methanamine?
The InChIKey is IANVVTKILFGGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c14-11-1-3-12(4-2-11)17-10-13(9-15)5-7-16-8-6-13/h1-4H,5-10,15H2.
What are the key properties of [4-[(4-fluorophenoxy)methyl]oxan-4-yl]methanamine?
[4-[(4-fluorophenoxy)methyl]oxan-4-yl]methanamine has a molecular weight of 239.29 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluorophenoxy)methyl]oxan-4-yl]methanamine is sourced from PubChem (CID 117051089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).