1-(4-fluoro-2-nonoxyphenyl)-N-methylethanamine

C18H30FNO — CID 63485682

IUPAC1-(4-fluoro-2-nonoxyphenyl)-N-methylethanamine
SMILESCCCCCCCCCOc1cc(F)ccc1C(C)NC
InChIInChI=1S/C18H30FNO/c1-4-5-6-7-8-9-10-13-21-18-14-16(19)11-12-17(18)15(2)20-3/h11-12,14-15,20H,4-10,13H2,1-3H3
InChIKeyLBFYKAQDMUSUKW-UHFFFAOYSA-N
MW295.44 g/mol
LogP5.24
Rot. Bonds11

About 1-(4-fluoro-2-nonoxyphenyl)-N-methylethanamine

1-(4-fluoro-2-nonoxyphenyl)-N-methylethanamine (PubChem CID 63485682) has the molecular formula C18H30FNO and a molecular weight of 295.44 g/mol. Its IUPAC name is 1-(4-fluoro-2-nonoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-fluoro-2-nonoxyphenyl)-N-methylethanamine
PubChem CID63485682
Molecular FormulaC18H30FNO
Molecular Weight295.44 g/mol
Exact Mass295.23
IUPAC Name1-(4-fluoro-2-nonoxyphenyl)-N-methylethanamine
SMILESCCCCCCCCCOc1cc(F)ccc1C(C)NC
InChIInChI=1S/C18H30FNO/c1-4-5-6-7-8-9-10-13-21-18-14-16(19)11-12-17(18)15(2)20-3/h11-12,14-15,20H,4-10,13H2,1-3H3
InChIKeyLBFYKAQDMUSUKW-UHFFFAOYSA-N
XLogP5.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.44
LogP ≤ 55.24
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-(5-fluoro-2-pentoxyphenyl)-N-methylethanamine
CID 43286049
(1R)-1-(2-decoxy-4-fluorophenyl)ethanamine
CID 63486431
(1S)-1-(4-fluoro-2-pentoxyphenyl)ethanol
CID 78932382
1-[4-fluoro-2-(2-methylpentoxy)phenyl]-N-methylethanamine
CID 55147255
1-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-N-methylethanamine
CID 63065355
1-[2-(2-butoxyethoxy)-5-fluorophenyl]-N-methylethanamine
CID 43285770
1-(5-fluoro-2-hept-6-enoxyphenyl)-N-methylethanamine
CID 107006250
1,4-difluoro-2-hexoxybenzene
CID 23437312
N-ethyl-1-(5-fluoro-2-pentoxyphenyl)ethanamine
CID 43286048
1-(5-chloro-2-octoxyphenyl)-N-methylethanamine
CID 63499596
4-fluoro-2-octoxyaniline
CID 43128998
1-chloro-4-fluoro-2-octoxybenzene
CID 114264358

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-nonoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(4-fluoro-2-nonoxyphenyl)-N-methylethanamine (CID 63485682) is 1-(4-fluoro-2-nonoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-fluoro-2-nonoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(4-fluoro-2-nonoxyphenyl)-N-methylethanamine is CCCCCCCCCOc1cc(F)ccc1C(C)NC.
What is the InChIKey of 1-(4-fluoro-2-nonoxyphenyl)-N-methylethanamine?
The InChIKey is LBFYKAQDMUSUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FNO/c1-4-5-6-7-8-9-10-13-21-18-14-16(19)11-12-17(18)15(2)20-3/h11-12,14-15,20H,4-10,13H2,1-3H3.
What are the key properties of 1-(4-fluoro-2-nonoxyphenyl)-N-methylethanamine?
1-(4-fluoro-2-nonoxyphenyl)-N-methylethanamine has a molecular weight of 295.44 g/mol, XLogP of 5.24, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-nonoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 63485682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).