2-(1-aminocyclopentyl)-6-methoxy-3-(trifluoromethyl)phenol

C13H16F3NO2 — CID 117439908

IUPAC2-(1-aminocyclopentyl)-6-methoxy-3-(trifluoromethyl)phenol
SMILESCOc1ccc(C(F)(F)F)c(C2(N)CCCC2)c1O
InChIInChI=1S/C13H16F3NO2/c1-19-9-5-4-8(13(14,15)16)10(11(9)18)12(17)6-2-3-7-12/h4-5,18H,2-3,6-7,17H2,1H3
InChIKeyDNKIWRORAZXZNP-UHFFFAOYSA-N
MW275.27 g/mol
LogP3.15
Rot. Bonds2

About 2-(1-aminocyclopentyl)-6-methoxy-3-(trifluoromethyl)phenol

2-(1-aminocyclopentyl)-6-methoxy-3-(trifluoromethyl)phenol (PubChem CID 117439908) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-6-methoxy-3-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-6-methoxy-3-(trifluoromethyl)phenol
PubChem CID117439908
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name2-(1-aminocyclopentyl)-6-methoxy-3-(trifluoromethyl)phenol
SMILESCOc1ccc(C(F)(F)F)c(C2(N)CCCC2)c1O
InChIInChI=1S/C13H16F3NO2/c1-19-9-5-4-8(13(14,15)16)10(11(9)18)12(17)6-2-3-7-12/h4-5,18H,2-3,6-7,17H2,1H3
InChIKeyDNKIWRORAZXZNP-UHFFFAOYSA-N
XLogP3.15
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminocyclopentyl)-3-ethyl-6-methoxyphenol
CID 117342969
3-methoxy-6-(trifluoromethyl)benzene-1,2-diol
CID 84675773
1-[2-(1,1-difluoroethyl)-6-methoxyphenyl]cyclopentan-1-amine
CID 117391217
1-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 117488350
1-(2,6-difluoro-3-methoxyphenyl)cyclohexan-1-amine
CID 84800959
1-[2-chloro-6-(trifluoromethyl)phenyl]cyclopentan-1-amine
CID 117413992
2-(1-aminocyclohexyl)-3-chloro-6-methoxy-4-methylphenol
CID 117427699
1-(3,6-dimethoxy-2-methylsulfanylphenyl)cyclohexan-1-amine
CID 117451883
1-(2,6-difluoro-3-methoxyphenyl)cyclobutan-1-amine
CID 117303912
2-(1-aminocyclohexyl)-5-methoxy-3,6-dimethylphenol
CID 117377331
2-(1-aminocyclobutyl)-4-bromo-6-methoxy-3-methylphenol
CID 117461200
1-(2-bromo-3-methoxy-6-methylphenyl)cyclopentan-1-amine
CID 117457058

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-6-methoxy-3-(trifluoromethyl)phenol?
The IUPAC name of 2-(1-aminocyclopentyl)-6-methoxy-3-(trifluoromethyl)phenol (CID 117439908) is 2-(1-aminocyclopentyl)-6-methoxy-3-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(1-aminocyclopentyl)-6-methoxy-3-(trifluoromethyl)phenol?
The canonical SMILES for 2-(1-aminocyclopentyl)-6-methoxy-3-(trifluoromethyl)phenol is COc1ccc(C(F)(F)F)c(C2(N)CCCC2)c1O.
What is the InChIKey of 2-(1-aminocyclopentyl)-6-methoxy-3-(trifluoromethyl)phenol?
The InChIKey is DNKIWRORAZXZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-19-9-5-4-8(13(14,15)16)10(11(9)18)12(17)6-2-3-7-12/h4-5,18H,2-3,6-7,17H2,1H3.
What are the key properties of 2-(1-aminocyclopentyl)-6-methoxy-3-(trifluoromethyl)phenol?
2-(1-aminocyclopentyl)-6-methoxy-3-(trifluoromethyl)phenol has a molecular weight of 275.27 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-6-methoxy-3-(trifluoromethyl)phenol is sourced from PubChem (CID 117439908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).