2-(3-cyclopentyloxy-2-methylanilino)ethanol

C14H21NO2 — CID 84586407

IUPAC2-(3-cyclopentyloxy-2-methylanilino)ethanol
SMILESCc1c(NCCO)cccc1OC1CCCC1
InChIInChI=1S/C14H21NO2/c1-11-13(15-9-10-16)7-4-8-14(11)17-12-5-2-3-6-12/h4,7-8,12,15-16H,2-3,5-6,9-10H2,1H3
InChIKeyLOMYXISPQAOKIN-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.72
Rot. Bonds5

About 2-(3-cyclopentyloxy-2-methylanilino)ethanol

2-(3-cyclopentyloxy-2-methylanilino)ethanol (PubChem CID 84586407) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(3-cyclopentyloxy-2-methylanilino)ethanol.

Molecular Properties

Compound Name2-(3-cyclopentyloxy-2-methylanilino)ethanol
PubChem CID84586407
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(3-cyclopentyloxy-2-methylanilino)ethanol
SMILESCc1c(NCCO)cccc1OC1CCCC1
InChIInChI=1S/C14H21NO2/c1-11-13(15-9-10-16)7-4-8-14(11)17-12-5-2-3-6-12/h4,7-8,12,15-16H,2-3,5-6,9-10H2,1H3
InChIKeyLOMYXISPQAOKIN-UHFFFAOYSA-N
XLogP2.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyloxy-2-methylanilino)ethanol?
The IUPAC name of 2-(3-cyclopentyloxy-2-methylanilino)ethanol (CID 84586407) is 2-(3-cyclopentyloxy-2-methylanilino)ethanol.
What is the SMILES notation for 2-(3-cyclopentyloxy-2-methylanilino)ethanol?
The canonical SMILES for 2-(3-cyclopentyloxy-2-methylanilino)ethanol is Cc1c(NCCO)cccc1OC1CCCC1.
What is the InChIKey of 2-(3-cyclopentyloxy-2-methylanilino)ethanol?
The InChIKey is LOMYXISPQAOKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-13(15-9-10-16)7-4-8-14(11)17-12-5-2-3-6-12/h4,7-8,12,15-16H,2-3,5-6,9-10H2,1H3.
What are the key properties of 2-(3-cyclopentyloxy-2-methylanilino)ethanol?
2-(3-cyclopentyloxy-2-methylanilino)ethanol has a molecular weight of 235.33 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyloxy-2-methylanilino)ethanol is sourced from PubChem (CID 84586407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).