2-(1-aminocyclopentyl)-3-ethoxyphenol

C13H19NO2 — CID 117316542

IUPAC2-(1-aminocyclopentyl)-3-ethoxyphenol
SMILESCCOc1cccc(O)c1C1(N)CCCC1
InChIInChI=1S/C13H19NO2/c1-2-16-11-7-5-6-10(15)12(11)13(14)8-3-4-9-13/h5-7,15H,2-4,8-9,14H2,1H3
InChIKeyVBKZSUSGNDTNEZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.52
Rot. Bonds3

About 2-(1-aminocyclopentyl)-3-ethoxyphenol

2-(1-aminocyclopentyl)-3-ethoxyphenol (PubChem CID 117316542) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-3-ethoxyphenol.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-3-ethoxyphenol
PubChem CID117316542
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(1-aminocyclopentyl)-3-ethoxyphenol
SMILESCCOc1cccc(O)c1C1(N)CCCC1
InChIInChI=1S/C13H19NO2/c1-2-16-11-7-5-6-10(15)12(11)13(14)8-3-4-9-13/h5-7,15H,2-4,8-9,14H2,1H3
InChIKeyVBKZSUSGNDTNEZ-UHFFFAOYSA-N
XLogP2.52
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.52
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

1-(2-ethoxy-3-methoxyphenyl)cyclopentan-1-amine
CID 117342977
1-[2-(2-ethoxyphenoxy)ethyl]cyclooctan-1-amine
CID 80610107
1-(3-ethoxyphenyl)cyclopentan-1-amine
CID 79420806
5-ethoxy-4-methylspiro[3H-chromene-2,1'-cyclopentane]-4-amine
CID 82194514
2-(1-aminocyclopentyl)-3-ethyl-6-methoxyphenol
CID 117342969
1-(2-ethoxyphenyl)cycloheptan-1-ol
CID 55120332
2-ethoxy-6-iodophenol
CID 171366674
2-(1-ethylcyclopropyl)-3-(methoxymethoxy)phenol
CID 147825187
1-amino-N-[(2-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 60963653
2-[(1-aminocyclopentyl)methoxy]phenol
CID 84675228
1-amino-N-(2-ethoxyphenyl)cyclopropane-1-carboxamide
CID 65463762
1-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]cyclohexane-1-carboxamide
CID 119273327

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-3-ethoxyphenol?
The IUPAC name of 2-(1-aminocyclopentyl)-3-ethoxyphenol (CID 117316542) is 2-(1-aminocyclopentyl)-3-ethoxyphenol.
What is the SMILES notation for 2-(1-aminocyclopentyl)-3-ethoxyphenol?
The canonical SMILES for 2-(1-aminocyclopentyl)-3-ethoxyphenol is CCOc1cccc(O)c1C1(N)CCCC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-3-ethoxyphenol?
The InChIKey is VBKZSUSGNDTNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-16-11-7-5-6-10(15)12(11)13(14)8-3-4-9-13/h5-7,15H,2-4,8-9,14H2,1H3.
What are the key properties of 2-(1-aminocyclopentyl)-3-ethoxyphenol?
2-(1-aminocyclopentyl)-3-ethoxyphenol has a molecular weight of 221.30 g/mol, XLogP of 2.52, 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-ethoxyphenol is sourced from PubChem (CID 117316542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).