3-[4-(2-methoxyethyl)phenoxy]-N-methylcyclopentan-1-amine

C15H23NO2 — CID 79642909

IUPAC3-[4-(2-methoxyethyl)phenoxy]-N-methylcyclopentan-1-amine
SMILESCNC1CCC(Oc2ccc(CCOC)cc2)C1
InChIInChI=1S/C15H23NO2/c1-16-13-5-8-15(11-13)18-14-6-3-12(4-7-14)9-10-17-2/h3-4,6-7,13,15-16H,5,8-11H2,1-2H3
InChIKeyMSJWNQQBMFMMIC-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.39
Rot. Bonds6

About 3-[4-(2-methoxyethyl)phenoxy]-N-methylcyclopentan-1-amine

3-[4-(2-methoxyethyl)phenoxy]-N-methylcyclopentan-1-amine (PubChem CID 79642909) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-[4-(2-methoxyethyl)phenoxy]-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[4-(2-methoxyethyl)phenoxy]-N-methylcyclopentan-1-amine
PubChem CID79642909
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-[4-(2-methoxyethyl)phenoxy]-N-methylcyclopentan-1-amine
SMILESCNC1CCC(Oc2ccc(CCOC)cc2)C1
InChIInChI=1S/C15H23NO2/c1-16-13-5-8-15(11-13)18-14-6-3-12(4-7-14)9-10-17-2/h3-4,6-7,13,15-16H,5,8-11H2,1-2H3
InChIKeyMSJWNQQBMFMMIC-UHFFFAOYSA-N
XLogP2.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyethyl)phenoxy]-N-methylcyclopentan-1-amine?
The IUPAC name of 3-[4-(2-methoxyethyl)phenoxy]-N-methylcyclopentan-1-amine (CID 79642909) is 3-[4-(2-methoxyethyl)phenoxy]-N-methylcyclopentan-1-amine.
What is the SMILES notation for 3-[4-(2-methoxyethyl)phenoxy]-N-methylcyclopentan-1-amine?
The canonical SMILES for 3-[4-(2-methoxyethyl)phenoxy]-N-methylcyclopentan-1-amine is CNC1CCC(Oc2ccc(CCOC)cc2)C1.
What is the InChIKey of 3-[4-(2-methoxyethyl)phenoxy]-N-methylcyclopentan-1-amine?
The InChIKey is MSJWNQQBMFMMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-16-13-5-8-15(11-13)18-14-6-3-12(4-7-14)9-10-17-2/h3-4,6-7,13,15-16H,5,8-11H2,1-2H3.
What are the key properties of 3-[4-(2-methoxyethyl)phenoxy]-N-methylcyclopentan-1-amine?
3-[4-(2-methoxyethyl)phenoxy]-N-methylcyclopentan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyethyl)phenoxy]-N-methylcyclopentan-1-amine is sourced from PubChem (CID 79642909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).