2-(2,4-difluorophenoxy)cyclooctan-1-amine

C14H19F2NO — CID 45253704

IUPAC2-(2,4-difluorophenoxy)cyclooctan-1-amine
SMILESNC1CCCCCCC1Oc1ccc(F)cc1F
InChIInChI=1S/C14H19F2NO/c15-10-7-8-13(11(16)9-10)18-14-6-4-2-1-3-5-12(14)17/h7-9,12,14H,1-6,17H2
InChIKeyLVTQDBVYZKDETE-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.39
Rot. Bonds2

About 2-(2,4-difluorophenoxy)cyclooctan-1-amine

2-(2,4-difluorophenoxy)cyclooctan-1-amine (PubChem CID 45253704) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)cyclooctan-1-amine.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)cyclooctan-1-amine
PubChem CID45253704
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name2-(2,4-difluorophenoxy)cyclooctan-1-amine
SMILESNC1CCCCCCC1Oc1ccc(F)cc1F
InChIInChI=1S/C14H19F2NO/c15-10-7-8-13(11(16)9-10)18-14-6-4-2-1-3-5-12(14)17/h7-9,12,14H,1-6,17H2
InChIKeyLVTQDBVYZKDETE-UHFFFAOYSA-N
XLogP3.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenoxy)cyclopentan-1-ol
CID 60878215
2-(2-aminocyclopentyl)oxy-5-fluorobenzamide
CID 113395445
2-[(6-fluoro-1H-benzimidazol-2-yl)oxy]cycloheptan-1-amine
CID 103295496
7-(2,4-difluorophenoxy)-1,4-dioxaspiro[4.5]decan-8-amine
CID 16782593
2-[(2,4-difluorophenoxy)methyl]cyclopentan-1-amine;hydrochloride
CID 154928203
cis-(1S,2S)-2-[(2,4-difluorophenoxy)methyl]cyclopentan-1-amine;hydrochloride
CID 162306120
2-[2-(trifluoromethyl)phenoxy]cyclohexan-1-amine
CID 45283482
trans-(1R,2R)-2-(2,5-difluorophenoxy)cyclohexan-1-ol
CID 102732616
2-(2,5-difluorophenoxy)cyclohexan-1-ol
CID 63269274
3-fluoro-4-(2-methylcyclohexyl)oxyaniline
CID 43123610
2-(2,5-dimethylphenoxy)cyclohexan-1-amine
CID 43184593
2-[2-(aminomethyl)cyclohexyl]oxy-4-fluoroaniline
CID 117095540

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)cyclooctan-1-amine?
The IUPAC name of 2-(2,4-difluorophenoxy)cyclooctan-1-amine (CID 45253704) is 2-(2,4-difluorophenoxy)cyclooctan-1-amine.
What is the SMILES notation for 2-(2,4-difluorophenoxy)cyclooctan-1-amine?
The canonical SMILES for 2-(2,4-difluorophenoxy)cyclooctan-1-amine is NC1CCCCCCC1Oc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenoxy)cyclooctan-1-amine?
The InChIKey is LVTQDBVYZKDETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c15-10-7-8-13(11(16)9-10)18-14-6-4-2-1-3-5-12(14)17/h7-9,12,14H,1-6,17H2.
What are the key properties of 2-(2,4-difluorophenoxy)cyclooctan-1-amine?
2-(2,4-difluorophenoxy)cyclooctan-1-amine has a molecular weight of 255.31 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)cyclooctan-1-amine is sourced from PubChem (CID 45253704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).