2-(1-aminocyclopentyl)-6-chloro-3-methylphenol

C12H16ClNO — CID 84790709

IUPAC2-(1-aminocyclopentyl)-6-chloro-3-methylphenol
SMILESCc1ccc(Cl)c(O)c1C1(N)CCCC1
InChIInChI=1S/C12H16ClNO/c1-8-4-5-9(13)11(15)10(8)12(14)6-2-3-7-12/h4-5,15H,2-3,6-7,14H2,1H3
InChIKeyLTGWJRSISVQWSW-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.08
Rot. Bonds1

About 2-(1-aminocyclopentyl)-6-chloro-3-methylphenol

2-(1-aminocyclopentyl)-6-chloro-3-methylphenol (PubChem CID 84790709) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-6-chloro-3-methylphenol.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-6-chloro-3-methylphenol
PubChem CID84790709
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name2-(1-aminocyclopentyl)-6-chloro-3-methylphenol
SMILESCc1ccc(Cl)c(O)c1C1(N)CCCC1
InChIInChI=1S/C12H16ClNO/c1-8-4-5-9(13)11(15)10(8)12(14)6-2-3-7-12/h4-5,15H,2-3,6-7,14H2,1H3
InChIKeyLTGWJRSISVQWSW-UHFFFAOYSA-N
XLogP3.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(6-chloro-2,3-dimethylphenyl)cyclohexan-1-amine
CID 117348296
1-(6-chloro-2-fluoro-3-methylphenyl)cyclohexan-1-amine
CID 117356604
2-(1-aminocyclopentyl)-6-chloro-3,4-dimethylphenol
CID 117352045
2-(1-aminocyclopentyl)-6-chlorophenol
CID 131350484
2-(1-aminocyclopentyl)-3,5,6-trimethylphenol
CID 117112800
2-(1-aminocyclopropyl)-6-tert-butyl-3-methylphenol
CID 117313082
2-(1-aminocyclohexyl)-6-methyl-3-methylsulfanylphenol
CID 117382283
2-(1-aminocyclopropyl)-6-chloro-3,5-dimethylphenol
CID 84782027
2-(1-aminocyclopropyl)-6-chloro-3,4-dimethylphenol
CID 84782034
1-(3-fluoro-2,6-dimethylphenyl)cyclopentan-1-amine
CID 84779827
2-(1-aminocyclohexyl)-4-chloro-6-fluoro-3-methylphenol
CID 117397935
6-chloro-2-(1-isocyanatocyclobutyl)-3-methylphenol
CID 117348059

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-6-chloro-3-methylphenol?
The IUPAC name of 2-(1-aminocyclopentyl)-6-chloro-3-methylphenol (CID 84790709) is 2-(1-aminocyclopentyl)-6-chloro-3-methylphenol.
What is the SMILES notation for 2-(1-aminocyclopentyl)-6-chloro-3-methylphenol?
The canonical SMILES for 2-(1-aminocyclopentyl)-6-chloro-3-methylphenol is Cc1ccc(Cl)c(O)c1C1(N)CCCC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-6-chloro-3-methylphenol?
The InChIKey is LTGWJRSISVQWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-8-4-5-9(13)11(15)10(8)12(14)6-2-3-7-12/h4-5,15H,2-3,6-7,14H2,1H3.
What are the key properties of 2-(1-aminocyclopentyl)-6-chloro-3-methylphenol?
2-(1-aminocyclopentyl)-6-chloro-3-methylphenol has a molecular weight of 225.72 g/mol, XLogP of 3.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-6-chloro-3-methylphenol is sourced from PubChem (CID 84790709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).