2-(3-fluorophenyl)-2-octan-2-yloxyethanamine

C16H26FNO — CID 55020696

IUPAC2-(3-fluorophenyl)-2-octan-2-yloxyethanamine
SMILESCCCCCCC(C)OC(CN)c1cccc(F)c1
InChIInChI=1S/C16H26FNO/c1-3-4-5-6-8-13(2)19-16(12-18)14-9-7-10-15(17)11-14/h7,9-11,13,16H,3-6,8,12,18H2,1-2H3
InChIKeyUDWKKQSBMIWDJP-UHFFFAOYSA-N
MW267.39 g/mol
LogP4.20
Rot. Bonds9

About 2-(3-fluorophenyl)-2-octan-2-yloxyethanamine

2-(3-fluorophenyl)-2-octan-2-yloxyethanamine (PubChem CID 55020696) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-octan-2-yloxyethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-octan-2-yloxyethanamine
PubChem CID55020696
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name2-(3-fluorophenyl)-2-octan-2-yloxyethanamine
SMILESCCCCCCC(C)OC(CN)c1cccc(F)c1
InChIInChI=1S/C16H26FNO/c1-3-4-5-6-8-13(2)19-16(12-18)14-9-7-10-15(17)11-14/h7,9-11,13,16H,3-6,8,12,18H2,1-2H3
InChIKeyUDWKKQSBMIWDJP-UHFFFAOYSA-N
XLogP4.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 54.20
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

2-(4-bromophenyl)-2-octan-2-yloxyethanamine
CID 55193958
2-(2-methylphenyl)-2-octan-2-yloxyethanamine
CID 55018718
1-(2-bromo-1-octan-2-yloxyethyl)-4-fluorobenzene
CID 63474589
1-(3-fluorophenyl)hexan-1-ol
CID 62607026
N-methyl-2-(3-methylphenyl)-2-octan-2-yloxyethanamine
CID 63476257
1-(3-fluorophenyl)-N-methylheptan-1-amine
CID 62607373
N-[2-(3-fluorophenyl)-2-pentan-2-yloxyethyl]cyclopropanamine
CID 102984848
1-(3-fluorophenyl)-1-octoxypropan-2-amine
CID 63459739
1-decan-2-yloxyethylbenzene
CID 102455455
1-(3-fluorophenyl)-2-heptoxyethanamine
CID 45282775
2-butan-2-yloxy-2-(3-fluorophenyl)-N-methylethanamine
CID 62107675
2-[(3-fluorophenyl)methyl]octan-1-amine
CID 62529193

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-octan-2-yloxyethanamine?
The IUPAC name of 2-(3-fluorophenyl)-2-octan-2-yloxyethanamine (CID 55020696) is 2-(3-fluorophenyl)-2-octan-2-yloxyethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-2-octan-2-yloxyethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-2-octan-2-yloxyethanamine is CCCCCCC(C)OC(CN)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-2-octan-2-yloxyethanamine?
The InChIKey is UDWKKQSBMIWDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-3-4-5-6-8-13(2)19-16(12-18)14-9-7-10-15(17)11-14/h7,9-11,13,16H,3-6,8,12,18H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-2-octan-2-yloxyethanamine?
2-(3-fluorophenyl)-2-octan-2-yloxyethanamine has a molecular weight of 267.39 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-octan-2-yloxyethanamine is sourced from PubChem (CID 55020696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).