1-(5-fluoro-2-hept-6-enoxyphenyl)-N-methylethanamine

C16H24FNO — CID 107006250

IUPAC1-(5-fluoro-2-hept-6-enoxyphenyl)-N-methylethanamine
SMILESC=CCCCCCOc1ccc(F)cc1C(C)NC
InChIInChI=1S/C16H24FNO/c1-4-5-6-7-8-11-19-16-10-9-14(17)12-15(16)13(2)18-3/h4,9-10,12-13,18H,1,5-8,11H2,2-3H3
InChIKeyJXNZVDRCOZPVLZ-UHFFFAOYSA-N
MW265.37 g/mol
LogP4.23
Rot. Bonds9

About 1-(5-fluoro-2-hept-6-enoxyphenyl)-N-methylethanamine

1-(5-fluoro-2-hept-6-enoxyphenyl)-N-methylethanamine (PubChem CID 107006250) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-(5-fluoro-2-hept-6-enoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-hept-6-enoxyphenyl)-N-methylethanamine
PubChem CID107006250
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name1-(5-fluoro-2-hept-6-enoxyphenyl)-N-methylethanamine
SMILESC=CCCCCCOc1ccc(F)cc1C(C)NC
InChIInChI=1S/C16H24FNO/c1-4-5-6-7-8-11-19-16-10-9-14(17)12-15(16)13(2)18-3/h4,9-10,12-13,18H,1,5-8,11H2,2-3H3
InChIKeyJXNZVDRCOZPVLZ-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-fluoro-2-pentoxyphenyl)-N-methylethanamine
CID 43286049
1-(4-fluoro-2-nonoxyphenyl)-N-methylethanamine
CID 63485682
1-[2-(2-butoxyethoxy)-5-fluorophenyl]-N-methylethanamine
CID 43285770
2-bromo-4-fluoro-1-hex-5-enoxybenzene
CID 121012667
N-[1-(2-hept-6-enoxy-5-methylphenyl)ethyl]propan-1-amine
CID 107006103
1-(5-fluoro-2-hept-6-enoxyphenyl)ethanone
CID 107007278
N-ethyl-1-(5-fluoro-2-pentoxyphenyl)ethanamine
CID 43286048
potassium trifluoro-(4-fluoro-2-hept-6-enoxyphenyl)boranuide
CID 107007667
1-(5-chloro-2-octoxyphenyl)-N-methylethanamine
CID 63499596
1-[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]-N-methylethanamine
CID 65126033
(1S)-N-methyl-1-(2-prop-2-enoxyphenyl)ethanamine
CID 137320021
(1R)-1-(5-fluoro-2-pentoxyphenyl)ethanamine
CID 63370186

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-hept-6-enoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(5-fluoro-2-hept-6-enoxyphenyl)-N-methylethanamine (CID 107006250) is 1-(5-fluoro-2-hept-6-enoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(5-fluoro-2-hept-6-enoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(5-fluoro-2-hept-6-enoxyphenyl)-N-methylethanamine is C=CCCCCCOc1ccc(F)cc1C(C)NC.
What is the InChIKey of 1-(5-fluoro-2-hept-6-enoxyphenyl)-N-methylethanamine?
The InChIKey is JXNZVDRCOZPVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-4-5-6-7-8-11-19-16-10-9-14(17)12-15(16)13(2)18-3/h4,9-10,12-13,18H,1,5-8,11H2,2-3H3.
What are the key properties of 1-(5-fluoro-2-hept-6-enoxyphenyl)-N-methylethanamine?
1-(5-fluoro-2-hept-6-enoxyphenyl)-N-methylethanamine has a molecular weight of 265.37 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-hept-6-enoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 107006250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).