N-[1-(2-fluorophenyl)ethyl]cyclooctanamine

C16H24FN — CID 43080224

IUPACN-[1-(2-fluorophenyl)ethyl]cyclooctanamine
SMILESCC(NC1CCCCCCC1)c1ccccc1F
InChIInChI=1S/C16H24FN/c1-13(15-11-7-8-12-16(15)17)18-14-9-5-3-2-4-6-10-14/h7-8,11-14,18H,2-6,9-10H2,1H3
InChIKeyBKASTFSFGFQNQL-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.59
Rot. Bonds3

About N-[1-(2-fluorophenyl)ethyl]cyclooctanamine

N-[1-(2-fluorophenyl)ethyl]cyclooctanamine (PubChem CID 43080224) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]cyclooctanamine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]cyclooctanamine
PubChem CID43080224
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC NameN-[1-(2-fluorophenyl)ethyl]cyclooctanamine
SMILESCC(NC1CCCCCCC1)c1ccccc1F
InChIInChI=1S/C16H24FN/c1-13(15-11-7-8-12-16(15)17)18-14-9-5-3-2-4-6-10-14/h7-8,11-14,18H,2-6,9-10H2,1H3
InChIKeyBKASTFSFGFQNQL-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-fluorophenyl)ethyl]azepan-4-amine
CID 103981604
N-[1-(2-fluorophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448317
4-ethyl-N-[(1R)-1-(2-fluorophenyl)ethyl]cycloheptan-1-amine
CID 81380737
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 28716756
N-[1-(2,4-difluorophenyl)ethyl]cyclooctanamine
CID 43080967
N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine
CID 29266972
3-[1-(2-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066344
2-(cyclohexylamino)-2-(2-fluorophenyl)acetonitrile
CID 54894619
trans-(1S,2S)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]cyclopentan-1-ol
CID 102733815
2-ethyl-N-[1-(2-fluorophenyl)ethyl]cyclohexan-1-amine
CID 43709448
N-[1-(2-fluorophenyl)ethyl]-1,1-dioxothiolan-3-amine
CID 43177596
N-(1-phenylethyl)cyclododecanamine
CID 60662638

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]cyclooctanamine?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]cyclooctanamine (CID 43080224) is N-[1-(2-fluorophenyl)ethyl]cyclooctanamine.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]cyclooctanamine?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]cyclooctanamine is CC(NC1CCCCCCC1)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]cyclooctanamine?
The InChIKey is BKASTFSFGFQNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-13(15-11-7-8-12-16(15)17)18-14-9-5-3-2-4-6-10-14/h7-8,11-14,18H,2-6,9-10H2,1H3.
What are the key properties of N-[1-(2-fluorophenyl)ethyl]cyclooctanamine?
N-[1-(2-fluorophenyl)ethyl]cyclooctanamine has a molecular weight of 249.37 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]cyclooctanamine is sourced from PubChem (CID 43080224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).