2-(1-aminocyclopentyl)-3,5,6-trimethylphenol

C14H21NO — CID 117112800

IUPAC2-(1-aminocyclopentyl)-3,5,6-trimethylphenol
SMILESCc1cc(C)c(C2(N)CCCC2)c(O)c1C
InChIInChI=1S/C14H21NO/c1-9-8-10(2)12(13(16)11(9)3)14(15)6-4-5-7-14/h8,16H,4-7,15H2,1-3H3
InChIKeyCXJGIVVHWDMNDT-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.05
Rot. Bonds1

About 2-(1-aminocyclopentyl)-3,5,6-trimethylphenol

2-(1-aminocyclopentyl)-3,5,6-trimethylphenol (PubChem CID 117112800) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-3,5,6-trimethylphenol.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-3,5,6-trimethylphenol
PubChem CID117112800
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(1-aminocyclopentyl)-3,5,6-trimethylphenol
SMILESCc1cc(C)c(C2(N)CCCC2)c(O)c1C
InChIInChI=1S/C14H21NO/c1-9-8-10(2)12(13(16)11(9)3)14(15)6-4-5-7-14/h8,16H,4-7,15H2,1-3H3
InChIKeyCXJGIVVHWDMNDT-UHFFFAOYSA-N
XLogP3.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.05
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-aminocyclohexyl)-5-methoxy-3,6-dimethylphenol
CID 117377331
4-(1-aminocyclohexyl)-2,3,5-trimethylphenol
CID 117114620
2-(1-aminocyclopentyl)-6-chloro-3,4-dimethylphenol
CID 117352045
6-(1-aminocyclohexyl)-3,4-dimethylbenzene-1,2-diol
CID 117343165
2-(1-aminocyclopropyl)-6-chloro-3,5-dimethylphenol
CID 84782027
2-(1-aminocyclopropyl)-5-methoxy-3,6-dimethylphenol
CID 84779621
2-(1-aminocyclopentyl)-6-chloro-3-methylphenol
CID 84790709
1-(2-methoxy-3,4,6-trimethylphenyl)cyclobutan-1-amine
CID 117112931
2-(1-aminocyclopropyl)-6-chloro-3,4-dimethylphenol
CID 84782034
6-(1-aminocyclopropyl)-3,4-dimethylbenzene-1,2-diol
CID 117283660
2-(1-aminocyclohexyl)-4-bromo-3,5,6-trimethylphenol
CID 117114628
4-(1-aminocyclohexyl)-2,3,6-trimethylphenol
CID 117114619

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-3,5,6-trimethylphenol?
The IUPAC name of 2-(1-aminocyclopentyl)-3,5,6-trimethylphenol (CID 117112800) is 2-(1-aminocyclopentyl)-3,5,6-trimethylphenol.
What is the SMILES notation for 2-(1-aminocyclopentyl)-3,5,6-trimethylphenol?
The canonical SMILES for 2-(1-aminocyclopentyl)-3,5,6-trimethylphenol is Cc1cc(C)c(C2(N)CCCC2)c(O)c1C.
What is the InChIKey of 2-(1-aminocyclopentyl)-3,5,6-trimethylphenol?
The InChIKey is CXJGIVVHWDMNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-9-8-10(2)12(13(16)11(9)3)14(15)6-4-5-7-14/h8,16H,4-7,15H2,1-3H3.
What are the key properties of 2-(1-aminocyclopentyl)-3,5,6-trimethylphenol?
2-(1-aminocyclopentyl)-3,5,6-trimethylphenol has a molecular weight of 219.33 g/mol, XLogP of 3.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-3,5,6-trimethylphenol is sourced from PubChem (CID 117112800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).