1-[(2-fluorophenyl)methyl]cyclooctan-1-amine

C15H22FN — CID 80603906

IUPAC1-[(2-fluorophenyl)methyl]cyclooctan-1-amine
SMILESNC1(Cc2ccccc2F)CCCCCCC1
InChIInChI=1S/C15H22FN/c16-14-9-5-4-8-13(14)12-15(17)10-6-2-1-3-7-11-15/h4-5,8-9H,1-3,6-7,10-12,17H2
InChIKeyHOTFWMUJDXFHAW-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.81
Rot. Bonds2

About 1-[(2-fluorophenyl)methyl]cyclooctan-1-amine

1-[(2-fluorophenyl)methyl]cyclooctan-1-amine (PubChem CID 80603906) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]cyclooctan-1-amine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]cyclooctan-1-amine
PubChem CID80603906
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name1-[(2-fluorophenyl)methyl]cyclooctan-1-amine
SMILESNC1(Cc2ccccc2F)CCCCCCC1
InChIInChI=1S/C15H22FN/c16-14-9-5-4-8-13(14)12-15(17)10-6-2-1-3-7-11-15/h4-5,8-9H,1-3,6-7,10-12,17H2
InChIKeyHOTFWMUJDXFHAW-UHFFFAOYSA-N
XLogP3.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-bromophenyl)methyl]cyclooctan-1-amine
CID 80603079
1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-amine
CID 114853412
1-[(2-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63411451
1-[(2-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 64513406
[1-[(2-fluorophenyl)methyl]cyclopropyl]methanamine
CID 66024201
1-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
CID 64671461
N-[[1-[(2-fluorophenyl)methyl]cyclohexyl]methyl]ethanamine
CID 62726182
4-fluoro-4-[(2-fluorophenyl)methyl]thiane
CID 84726026
1-[(2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 64774562
[1-[(2-fluorophenyl)methoxy]cyclohexyl]methanamine
CID 63932626
1-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine
CID 117337409
(2-fluorophenyl)methyl 1-aminocyclopentane-1-carboxylate
CID 63932845

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]cyclooctan-1-amine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]cyclooctan-1-amine (CID 80603906) is 1-[(2-fluorophenyl)methyl]cyclooctan-1-amine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]cyclooctan-1-amine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]cyclooctan-1-amine is NC1(Cc2ccccc2F)CCCCCCC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]cyclooctan-1-amine?
The InChIKey is HOTFWMUJDXFHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c16-14-9-5-4-8-13(14)12-15(17)10-6-2-1-3-7-11-15/h4-5,8-9H,1-3,6-7,10-12,17H2.
What are the key properties of 1-[(2-fluorophenyl)methyl]cyclooctan-1-amine?
1-[(2-fluorophenyl)methyl]cyclooctan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]cyclooctan-1-amine is sourced from PubChem (CID 80603906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).