2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine

C14H20FNO — CID 55066017

IUPAC2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine
SMILESFc1ccc(CCNCC2CCOCC2)cc1
InChIInChI=1S/C14H20FNO/c15-14-3-1-12(2-4-14)5-8-16-11-13-6-9-17-10-7-13/h1-4,13,16H,5-11H2
InChIKeyZHETUQOIVCBMII-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.38
Rot. Bonds5

About 2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine

2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine (PubChem CID 55066017) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine
PubChem CID55066017
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine
SMILESFc1ccc(CCNCC2CCOCC2)cc1
InChIInChI=1S/C14H20FNO/c15-14-3-1-12(2-4-14)5-8-16-11-13-6-9-17-10-7-13/h1-4,13,16H,5-11H2
InChIKeyZHETUQOIVCBMII-UHFFFAOYSA-N
XLogP2.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopentylmethyl)-2-(4-fluorophenyl)ethanamine
CID 61342806
4-[2-(4-fluorophenyl)ethyl]oxane
CID 141096687
2-[2-(4-fluorophenyl)ethylamino]-N-(oxan-4-yl)acetamide
CID 63099712
2-(4-fluorophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107131138
2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide
CID 110736373
2-(4-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 62656306
2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632818
[2-(4-fluorophenyl)ethylamino]methanol
CID 69360802
2-(3,4-dimethoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43191422
2-(cyclohexen-1-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62387139
N-(oxan-4-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 64546747
4-fluoro-2-[(oxan-4-ylmethylamino)methyl]phenol
CID 103948383

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine (CID 55066017) is 2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine is Fc1ccc(CCNCC2CCOCC2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine?
The InChIKey is ZHETUQOIVCBMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c15-14-3-1-12(2-4-14)5-8-16-11-13-6-9-17-10-7-13/h1-4,13,16H,5-11H2.
What are the key properties of 2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine?
2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine has a molecular weight of 237.32 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine is sourced from PubChem (CID 55066017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).