2-(1-aminocyclopentyl)-3-ethyl-6-methoxyphenol

C14H21NO2 — CID 117342969

IUPAC2-(1-aminocyclopentyl)-3-ethyl-6-methoxyphenol
SMILESCCc1ccc(OC)c(O)c1C1(N)CCCC1
InChIInChI=1S/C14H21NO2/c1-3-10-6-7-11(17-2)13(16)12(10)14(15)8-4-5-9-14/h6-7,16H,3-5,8-9,15H2,1-2H3
InChIKeyVNNYOFWZUDQGCX-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.69
Rot. Bonds3

About 2-(1-aminocyclopentyl)-3-ethyl-6-methoxyphenol

2-(1-aminocyclopentyl)-3-ethyl-6-methoxyphenol (PubChem CID 117342969) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-3-ethyl-6-methoxyphenol.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-3-ethyl-6-methoxyphenol
PubChem CID117342969
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(1-aminocyclopentyl)-3-ethyl-6-methoxyphenol
SMILESCCc1ccc(OC)c(O)c1C1(N)CCCC1
InChIInChI=1S/C14H21NO2/c1-3-10-6-7-11(17-2)13(16)12(10)14(15)8-4-5-9-14/h6-7,16H,3-5,8-9,15H2,1-2H3
InChIKeyVNNYOFWZUDQGCX-UHFFFAOYSA-N
XLogP2.69
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.69
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-aminocyclobutyl)-3-chloro-4-ethyl-6-methoxyphenol
CID 117392420
2-(1-aminocyclopentyl)-6-methoxy-3-(trifluoromethyl)phenol
CID 117439908
3-ethyl-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
CID 117318322
7-ethyl-4-methoxyspiro[1,2-dihydroindene-3,1'-cyclopentane]
CID 123748648
2-(1-aminocyclohexyl)-3-chloro-6-methoxy-4-methylphenol
CID 117427699
1-(3,6-dimethoxy-2-methylsulfanylphenyl)cyclohexan-1-amine
CID 117451883
1-(3-ethyl-4-methoxyphenyl)cyclopropan-1-amine
CID 82281442
2-(1-aminocyclohexyl)-5-methoxy-3,6-dimethylphenol
CID 117377331
6-ethyl-2-hydroxy-3-methoxybenzoic acid
CID 84666719
2-(1-aminocyclobutyl)-4-bromo-6-methoxy-3-methylphenol
CID 117461200
2-[1-(aminomethyl)cyclobutyl]-6-methoxy-3-methylphenol
CID 117316580
1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclopentan-1-amine
CID 117388014

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-3-ethyl-6-methoxyphenol?
The IUPAC name of 2-(1-aminocyclopentyl)-3-ethyl-6-methoxyphenol (CID 117342969) is 2-(1-aminocyclopentyl)-3-ethyl-6-methoxyphenol.
What is the SMILES notation for 2-(1-aminocyclopentyl)-3-ethyl-6-methoxyphenol?
The canonical SMILES for 2-(1-aminocyclopentyl)-3-ethyl-6-methoxyphenol is CCc1ccc(OC)c(O)c1C1(N)CCCC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-3-ethyl-6-methoxyphenol?
The InChIKey is VNNYOFWZUDQGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-10-6-7-11(17-2)13(16)12(10)14(15)8-4-5-9-14/h6-7,16H,3-5,8-9,15H2,1-2H3.
What are the key properties of 2-(1-aminocyclopentyl)-3-ethyl-6-methoxyphenol?
2-(1-aminocyclopentyl)-3-ethyl-6-methoxyphenol has a molecular weight of 235.33 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-3-ethyl-6-methoxyphenol is sourced from PubChem (CID 117342969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).