2-(1-aminocyclopentyl)-4-methoxy-5-methylphenol

C13H19NO2 — CID 117316532

IUPAC2-(1-aminocyclopentyl)-4-methoxy-5-methylphenol
SMILESCOc1cc(C2(N)CCCC2)c(O)cc1C
InChIInChI=1S/C13H19NO2/c1-9-7-11(15)10(8-12(9)16-2)13(14)5-3-4-6-13/h7-8,15H,3-6,14H2,1-2H3
InChIKeyOGVAVCLLBXTCNI-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.44
Rot. Bonds2

About 2-(1-aminocyclopentyl)-4-methoxy-5-methylphenol

2-(1-aminocyclopentyl)-4-methoxy-5-methylphenol (PubChem CID 117316532) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-4-methoxy-5-methylphenol.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-4-methoxy-5-methylphenol
PubChem CID117316532
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(1-aminocyclopentyl)-4-methoxy-5-methylphenol
SMILESCOc1cc(C2(N)CCCC2)c(O)cc1C
InChIInChI=1S/C13H19NO2/c1-9-7-11(15)10(8-12(9)16-2)13(14)5-3-4-6-13/h7-8,15H,3-6,14H2,1-2H3
InChIKeyOGVAVCLLBXTCNI-UHFFFAOYSA-N
XLogP2.44
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.44
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-aminocyclohexyl)-5-chloro-4-methoxyphenol
CID 117392379
1-(2-bromo-5-methoxy-4-methylphenyl)cyclohexan-1-amine
CID 117480325
2-[1-(aminomethyl)cyclohexyl]-4-methoxy-5-methylphenol
CID 117377399
2-(1-aminocyclopentyl)-4-fluoro-5-methylphenol
CID 117298959
2-(1-aminocyclopropyl)-5-chloro-4-methoxyphenol
CID 84783043
methyl 5-(1-aminocyclopentyl)-4-hydroxy-2-methoxybenzoate
CID 117417003
1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentan-1-amine
CID 84789200
1-(4-chloro-5-methoxy-2-methylphenyl)cyclopentan-1-amine
CID 84800208
5-(1-aminocyclopentyl)-4-fluoro-2-methoxyphenol
CID 117323526
1-(5-methoxy-4-methyl-2-methylsulfonylphenyl)cyclobutan-1-amine
CID 117426783
1-(4,5-dimethoxy-2,3-dimethylphenyl)cyclohexan-1-amine
CID 117413644
1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclobutan-1-amine
CID 117343241

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-4-methoxy-5-methylphenol?
The IUPAC name of 2-(1-aminocyclopentyl)-4-methoxy-5-methylphenol (CID 117316532) is 2-(1-aminocyclopentyl)-4-methoxy-5-methylphenol.
What is the SMILES notation for 2-(1-aminocyclopentyl)-4-methoxy-5-methylphenol?
The canonical SMILES for 2-(1-aminocyclopentyl)-4-methoxy-5-methylphenol is COc1cc(C2(N)CCCC2)c(O)cc1C.
What is the InChIKey of 2-(1-aminocyclopentyl)-4-methoxy-5-methylphenol?
The InChIKey is OGVAVCLLBXTCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-7-11(15)10(8-12(9)16-2)13(14)5-3-4-6-13/h7-8,15H,3-6,14H2,1-2H3.
What are the key properties of 2-(1-aminocyclopentyl)-4-methoxy-5-methylphenol?
2-(1-aminocyclopentyl)-4-methoxy-5-methylphenol has a molecular weight of 221.30 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-4-methoxy-5-methylphenol is sourced from PubChem (CID 117316532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).