2-(2-fluorophenyl)-6-methoxyhexan-1-amine

C13H20FNO — CID 104649507

IUPAC2-(2-fluorophenyl)-6-methoxyhexan-1-amine
SMILESCOCCCCC(CN)c1ccccc1F
InChIInChI=1S/C13H20FNO/c1-16-9-5-4-6-11(10-15)12-7-2-3-8-13(12)14/h2-3,7-8,11H,4-6,9-10,15H2,1H3
InChIKeyRSYLFNPEKAIZFJ-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.68
Rot. Bonds7

About 2-(2-fluorophenyl)-6-methoxyhexan-1-amine

2-(2-fluorophenyl)-6-methoxyhexan-1-amine (PubChem CID 104649507) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-6-methoxyhexan-1-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-6-methoxyhexan-1-amine
PubChem CID104649507
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name2-(2-fluorophenyl)-6-methoxyhexan-1-amine
SMILESCOCCCCC(CN)c1ccccc1F
InChIInChI=1S/C13H20FNO/c1-16-9-5-4-6-11(10-15)12-7-2-3-8-13(12)14/h2-3,7-8,11H,4-6,9-10,15H2,1H3
InChIKeyRSYLFNPEKAIZFJ-UHFFFAOYSA-N
XLogP2.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.68
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

3-(2-fluorophenyl)-4-methoxybutan-1-amine
CID 115021065
2-(2-fluorophenyl)-5-methoxy-N-propylpentan-1-amine
CID 79439292
2-(2-fluorophenyl)-4-methylpentan-1-amine
CID 79001901
4-(3,4-dimethylphenoxy)-2-(2-fluorophenyl)butan-1-amine
CID 82138148
2-(2-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
CID 103412655
N-ethyl-2-(2-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
CID 103412646
2-(2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]ethanamine
CID 103401296
1-[1-chloro-4-[2-(2-methoxyethoxy)ethoxy]butan-2-yl]-2-fluorobenzene
CID 104568771
2-(2-fluorophenyl)-4-(2-methoxyethoxy)butan-1-ol
CID 79448650
2-(2-fluorophenyl)-3-(4-hexoxyphenyl)propan-1-amine
CID 83975523
5-amino-4-(2-fluorophenyl)pentan-2-ol
CID 81422471
N-[1-(2-fluorophenyl)ethyl]-3-methoxypropan-1-amine
CID 43205059

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-6-methoxyhexan-1-amine?
The IUPAC name of 2-(2-fluorophenyl)-6-methoxyhexan-1-amine (CID 104649507) is 2-(2-fluorophenyl)-6-methoxyhexan-1-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-6-methoxyhexan-1-amine?
The canonical SMILES for 2-(2-fluorophenyl)-6-methoxyhexan-1-amine is COCCCCC(CN)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-6-methoxyhexan-1-amine?
The InChIKey is RSYLFNPEKAIZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-16-9-5-4-6-11(10-15)12-7-2-3-8-13(12)14/h2-3,7-8,11H,4-6,9-10,15H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-6-methoxyhexan-1-amine?
2-(2-fluorophenyl)-6-methoxyhexan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-6-methoxyhexan-1-amine is sourced from PubChem (CID 104649507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).