1-(5-fluoro-2-pentoxyphenyl)-N-methylethanamine

C14H22FNO — CID 43286049

IUPAC1-(5-fluoro-2-pentoxyphenyl)-N-methylethanamine
SMILESCCCCCOc1ccc(F)cc1C(C)NC
InChIInChI=1S/C14H22FNO/c1-4-5-6-9-17-14-8-7-12(15)10-13(14)11(2)16-3/h7-8,10-11,16H,4-6,9H2,1-3H3
InChIKeyGUHCONWMFZNLCX-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.68
Rot. Bonds7

About 1-(5-fluoro-2-pentoxyphenyl)-N-methylethanamine

1-(5-fluoro-2-pentoxyphenyl)-N-methylethanamine (PubChem CID 43286049) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-(5-fluoro-2-pentoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-pentoxyphenyl)-N-methylethanamine
PubChem CID43286049
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name1-(5-fluoro-2-pentoxyphenyl)-N-methylethanamine
SMILESCCCCCOc1ccc(F)cc1C(C)NC
InChIInChI=1S/C14H22FNO/c1-4-5-6-9-17-14-8-7-12(15)10-13(14)11(2)16-3/h7-8,10-11,16H,4-6,9H2,1-3H3
InChIKeyGUHCONWMFZNLCX-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.68
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

1-[2-(2-butoxyethoxy)-5-fluorophenyl]-N-methylethanamine
CID 43285770
N-ethyl-1-(5-fluoro-2-pentoxyphenyl)ethanamine
CID 43286048
1-(4-fluoro-2-nonoxyphenyl)-N-methylethanamine
CID 63485682
1-(5-fluoro-2-hept-6-enoxyphenyl)-N-methylethanamine
CID 107006250
(1R)-1-(5-fluoro-2-pentoxyphenyl)ethanamine
CID 63370186
1-(5-chloro-2-octoxyphenyl)-N-methylethanamine
CID 63499596
(1S)-1-(4-fluoro-2-pentoxyphenyl)ethanol
CID 78932382
N-ethyl-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethanamine
CID 43285224
(1R)-1-(2-decoxy-4-fluorophenyl)ethanamine
CID 63486431
(1S)-1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanamine
CID 29003282
N-[(5-fluoro-2-hexoxyphenyl)methyl]-2-methylpropan-1-amine
CID 107696863
1-[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]-N-methylethanamine
CID 65126033

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pentoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(5-fluoro-2-pentoxyphenyl)-N-methylethanamine (CID 43286049) is 1-(5-fluoro-2-pentoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(5-fluoro-2-pentoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(5-fluoro-2-pentoxyphenyl)-N-methylethanamine is CCCCCOc1ccc(F)cc1C(C)NC.
What is the InChIKey of 1-(5-fluoro-2-pentoxyphenyl)-N-methylethanamine?
The InChIKey is GUHCONWMFZNLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-4-5-6-9-17-14-8-7-12(15)10-13(14)11(2)16-3/h7-8,10-11,16H,4-6,9H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-pentoxyphenyl)-N-methylethanamine?
1-(5-fluoro-2-pentoxyphenyl)-N-methylethanamine has a molecular weight of 239.33 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pentoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 43286049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).