2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-1-methylcyclopentan-1-ol

C15H23NO2 — CID 112745865

IUPAC2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-1-methylcyclopentan-1-ol
SMILESCc1ccc([C@H](C)N)c(OC2CCCC2(C)O)c1
InChIInChI=1S/C15H23NO2/c1-10-6-7-12(11(2)16)13(9-10)18-14-5-4-8-15(14,3)17/h6-7,9,11,14,17H,4-5,8,16H2,1-3H3/t11-,14?,15?/m0/s1
InChIKeyXNGGMBRIJXUXHU-QGLTVNCISA-N
MW249.35 g/mol
LogP2.70
Rot. Bonds3

About 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-1-methylcyclopentan-1-ol

2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-1-methylcyclopentan-1-ol (PubChem CID 112745865) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-1-methylcyclopentan-1-ol.

Molecular Properties

Compound Name2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-1-methylcyclopentan-1-ol
PubChem CID112745865
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-1-methylcyclopentan-1-ol
SMILESCc1ccc([C@H](C)N)c(OC2CCCC2(C)O)c1
InChIInChI=1S/C15H23NO2/c1-10-6-7-12(11(2)16)13(9-10)18-14-5-4-8-15(14,3)17/h6-7,9,11,14,17H,4-5,8,16H2,1-3H3/t11-,14?,15?/m0/s1
InChIKeyXNGGMBRIJXUXHU-QGLTVNCISA-N
XLogP2.70
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-1-methylcyclopentan-1-ol?
The IUPAC name of 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-1-methylcyclopentan-1-ol (CID 112745865) is 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-1-methylcyclopentan-1-ol.
What is the SMILES notation for 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-1-methylcyclopentan-1-ol?
The canonical SMILES for 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-1-methylcyclopentan-1-ol is Cc1ccc([C@H](C)N)c(OC2CCCC2(C)O)c1.
What is the InChIKey of 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-1-methylcyclopentan-1-ol?
The InChIKey is XNGGMBRIJXUXHU-QGLTVNCISA-N. The full InChI is InChI=1S/C15H23NO2/c1-10-6-7-12(11(2)16)13(9-10)18-14-5-4-8-15(14,3)17/h6-7,9,11,14,17H,4-5,8,16H2,1-3H3/t11-,14?,15?/m0/s1.
What are the key properties of 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-1-methylcyclopentan-1-ol?
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-1-methylcyclopentan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-1-methylcyclopentan-1-ol is sourced from PubChem (CID 112745865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).