1-cyclooctyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine

C19H30FN — CID 105374209

IUPAC1-cyclooctyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1C)C1CCCCCCC1
InChIInChI=1S/C19H30FN/c1-3-21-19(16-9-7-5-4-6-8-10-16)14-17-13-18(20)12-11-15(17)2/h11-13,16,19,21H,3-10,14H2,1-2H3
InChIKeyAQAQDGGVKGLTNU-UHFFFAOYSA-N
MW291.45 g/mol
LogP5.02
Rot. Bonds5

About 1-cyclooctyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine

1-cyclooctyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine (PubChem CID 105374209) has the molecular formula C19H30FN and a molecular weight of 291.45 g/mol. Its IUPAC name is 1-cyclooctyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-cyclooctyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
PubChem CID105374209
Molecular FormulaC19H30FN
Molecular Weight291.45 g/mol
Exact Mass291.24
IUPAC Name1-cyclooctyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1C)C1CCCCCCC1
InChIInChI=1S/C19H30FN/c1-3-21-19(16-9-7-5-4-6-8-10-16)14-17-13-18(20)12-11-15(17)2/h11-13,16,19,21H,3-10,14H2,1-2H3
InChIKeyAQAQDGGVKGLTNU-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.45
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373724
1-cyclopropyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373730
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105377161
N-ethyl-1-(3-ethylcyclopentyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374013
1-cyclopentyl-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-1-amine
CID 114346516
1-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374247
1-cyclooctyl-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 65018192
3-cyclopropyl-N-ethyl-1-(5-fluoro-2-methylphenyl)butan-2-amine
CID 105377444
1-cycloheptyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373996
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347992
2-(2-bromo-4-fluorophenyl)-1-cyclobutyl-N-ethylethanamine
CID 64986283
N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348004

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 1-cyclooctyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine (CID 105374209) is 1-cyclooctyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 1-cyclooctyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 1-cyclooctyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine is CCNC(Cc1cc(F)ccc1C)C1CCCCCCC1.
What is the InChIKey of 1-cyclooctyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine?
The InChIKey is AQAQDGGVKGLTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN/c1-3-21-19(16-9-7-5-4-6-8-10-16)14-17-13-18(20)12-11-15(17)2/h11-13,16,19,21H,3-10,14H2,1-2H3.
What are the key properties of 1-cyclooctyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine?
1-cyclooctyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine has a molecular weight of 291.45 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 105374209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).