2-(1-aminocyclopentyl)-6-chloro-3,4-dimethylphenol

C13H18ClNO — CID 117352045

IUPAC2-(1-aminocyclopentyl)-6-chloro-3,4-dimethylphenol
SMILESCc1cc(Cl)c(O)c(C2(N)CCCC2)c1C
InChIInChI=1S/C13H18ClNO/c1-8-7-10(14)12(16)11(9(8)2)13(15)5-3-4-6-13/h7,16H,3-6,15H2,1-2H3
InChIKeyKEDQQJIIAZEQBH-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.39
Rot. Bonds1

About 2-(1-aminocyclopentyl)-6-chloro-3,4-dimethylphenol

2-(1-aminocyclopentyl)-6-chloro-3,4-dimethylphenol (PubChem CID 117352045) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-6-chloro-3,4-dimethylphenol.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-6-chloro-3,4-dimethylphenol
PubChem CID117352045
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-(1-aminocyclopentyl)-6-chloro-3,4-dimethylphenol
SMILESCc1cc(Cl)c(O)c(C2(N)CCCC2)c1C
InChIInChI=1S/C13H18ClNO/c1-8-7-10(14)12(16)11(9(8)2)13(15)5-3-4-6-13/h7,16H,3-6,15H2,1-2H3
InChIKeyKEDQQJIIAZEQBH-UHFFFAOYSA-N
XLogP3.39
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.39
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

2-(1-aminocyclopropyl)-6-chloro-3,4-dimethylphenol
CID 84782034
1-(3-chloro-2-methoxy-5,6-dimethylphenyl)cyclopentan-1-amine
CID 117388025
2-(1-aminocyclopentyl)-3,5,6-trimethylphenol
CID 117112800
2-(1-aminocyclohexyl)-4-chloro-6-fluoro-3-methylphenol
CID 117397935
2-(1-aminocyclopentyl)-6-chloro-3-methylphenol
CID 84790709
1-(6-chloro-2,3-dimethylphenyl)cyclohexan-1-amine
CID 117348296
2-(1-aminocyclobutyl)-4-chloro-3-methyl-6-propan-2-ylphenol
CID 117387590
2-(1-aminocyclopropyl)-6-methoxy-3,4-dimethylphenol
CID 117296163
6-(1-aminocyclohexyl)-3,4-dimethylbenzene-1,2-diol
CID 117343165
4-(1-aminocyclohexyl)-2,3,5-trimethylphenol
CID 117114620
2-(1-aminocyclohexyl)-3-chloro-6-methoxy-4-methylphenol
CID 117427699
2-amino-6-chloro-3,4-dimethylphenol
CID 45120159

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-6-chloro-3,4-dimethylphenol?
The IUPAC name of 2-(1-aminocyclopentyl)-6-chloro-3,4-dimethylphenol (CID 117352045) is 2-(1-aminocyclopentyl)-6-chloro-3,4-dimethylphenol.
What is the SMILES notation for 2-(1-aminocyclopentyl)-6-chloro-3,4-dimethylphenol?
The canonical SMILES for 2-(1-aminocyclopentyl)-6-chloro-3,4-dimethylphenol is Cc1cc(Cl)c(O)c(C2(N)CCCC2)c1C.
What is the InChIKey of 2-(1-aminocyclopentyl)-6-chloro-3,4-dimethylphenol?
The InChIKey is KEDQQJIIAZEQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-8-7-10(14)12(16)11(9(8)2)13(15)5-3-4-6-13/h7,16H,3-6,15H2,1-2H3.
What are the key properties of 2-(1-aminocyclopentyl)-6-chloro-3,4-dimethylphenol?
2-(1-aminocyclopentyl)-6-chloro-3,4-dimethylphenol has a molecular weight of 239.75 g/mol, XLogP of 3.39, 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-3,4-dimethylphenol is sourced from PubChem (CID 117352045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).