1-cyclooctyl-N-ethyl-2-(4-fluorophenyl)ethanamine

C18H28FN — CID 65018192

IUPAC1-cyclooctyl-N-ethyl-2-(4-fluorophenyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1)C1CCCCCCC1
InChIInChI=1S/C18H28FN/c1-2-20-18(14-15-10-12-17(19)13-11-15)16-8-6-4-3-5-7-9-16/h10-13,16,18,20H,2-9,14H2,1H3
InChIKeyKJMPIPYDHDTGKL-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.71
Rot. Bonds5

About 1-cyclooctyl-N-ethyl-2-(4-fluorophenyl)ethanamine

1-cyclooctyl-N-ethyl-2-(4-fluorophenyl)ethanamine (PubChem CID 65018192) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-cyclooctyl-N-ethyl-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-cyclooctyl-N-ethyl-2-(4-fluorophenyl)ethanamine
PubChem CID65018192
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC Name1-cyclooctyl-N-ethyl-2-(4-fluorophenyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1)C1CCCCCCC1
InChIInChI=1S/C18H28FN/c1-2-20-18(14-15-10-12-17(19)13-11-15)16-8-6-4-3-5-7-9-16/h10-13,16,18,20H,2-9,14H2,1H3
InChIKeyKJMPIPYDHDTGKL-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cycloheptyl-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63528977
1-cycloheptyl-2-(4-fluorophenyl)-N-methylethanamine
CID 55091488
N-ethyl-2-(4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine
CID 63415167
2-(4-tert-butylphenyl)-1-cyclohexyl-N-ethylethanamine
CID 63413965
2-(3-chloro-4-fluorophenyl)-1-cyclohexyl-N-ethylethanamine
CID 103039852
1-cyclohexyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373724
1-cyclooctyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374209
1-cyclobutyl-N-ethyl-2-(4-iodophenyl)ethanamine
CID 65478174
1-cyclobutyl-N-ethyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 55040821
1-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 64905384
N-ethyl-2-(4-fluorophenyl)-1-(2-methylcyclopropyl)ethanamine
CID 61066085
1-cyclopentyl-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-1-amine
CID 114346516

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-N-ethyl-2-(4-fluorophenyl)ethanamine?
The IUPAC name of 1-cyclooctyl-N-ethyl-2-(4-fluorophenyl)ethanamine (CID 65018192) is 1-cyclooctyl-N-ethyl-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 1-cyclooctyl-N-ethyl-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for 1-cyclooctyl-N-ethyl-2-(4-fluorophenyl)ethanamine is CCNC(Cc1ccc(F)cc1)C1CCCCCCC1.
What is the InChIKey of 1-cyclooctyl-N-ethyl-2-(4-fluorophenyl)ethanamine?
The InChIKey is KJMPIPYDHDTGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-2-20-18(14-15-10-12-17(19)13-11-15)16-8-6-4-3-5-7-9-16/h10-13,16,18,20H,2-9,14H2,1H3.
What are the key properties of 1-cyclooctyl-N-ethyl-2-(4-fluorophenyl)ethanamine?
1-cyclooctyl-N-ethyl-2-(4-fluorophenyl)ethanamine has a molecular weight of 277.43 g/mol, XLogP of 4.71, 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-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 65018192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).