1-(aminomethyl)-2-[2-(2-methylphenoxy)ethyl]cyclopentan-1-ol

C15H23NO2 — CID 79588148

IUPAC1-(aminomethyl)-2-[2-(2-methylphenoxy)ethyl]cyclopentan-1-ol
SMILESCc1ccccc1OCCC1CCCC1(O)CN
InChIInChI=1S/C15H23NO2/c1-12-5-2-3-7-14(12)18-10-8-13-6-4-9-15(13,17)11-16/h2-3,5,7,13,17H,4,6,8-11,16H2,1H3
InChIKeyRNYHXRQRBZLROG-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.25
Rot. Bonds5

About 1-(aminomethyl)-2-[2-(2-methylphenoxy)ethyl]cyclopentan-1-ol

1-(aminomethyl)-2-[2-(2-methylphenoxy)ethyl]cyclopentan-1-ol (PubChem CID 79588148) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(aminomethyl)-2-[2-(2-methylphenoxy)ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-2-[2-(2-methylphenoxy)ethyl]cyclopentan-1-ol
PubChem CID79588148
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(aminomethyl)-2-[2-(2-methylphenoxy)ethyl]cyclopentan-1-ol
SMILESCc1ccccc1OCCC1CCCC1(O)CN
InChIInChI=1S/C15H23NO2/c1-12-5-2-3-7-14(12)18-10-8-13-6-4-9-15(13,17)11-16/h2-3,5,7,13,17H,4,6,8-11,16H2,1H3
InChIKeyRNYHXRQRBZLROG-UHFFFAOYSA-N
XLogP2.25
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-2-[2-(2,4-dimethylphenoxy)ethyl]cyclopentan-1-ol
CID 79586548
1-(aminomethyl)-2-[2-(2-tert-butylphenoxy)ethyl]cyclopentan-1-ol
CID 79587114
1-(aminomethyl)-2-[2-(4-tert-butylphenoxy)ethyl]cyclopentan-1-ol
CID 79587994
1-(aminomethyl)-2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]cyclopentan-1-ol
CID 79587264
2-[2-(2-methylphenoxy)ethyl]-1,3-dioxane
CID 66475164
4-N-methyl-4-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1,4-diamine
CID 79121489
1-(aminomethyl)-2-[2-(3,3-dimethylbutoxy)ethyl]cyclopentan-1-ol
CID 79586556
[1-amino-2-[2-(2-ethylphenoxy)ethyl]cyclopentyl]methanol
CID 79581783
1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine
CID 23339324
1-amino-2-[2-(2-tert-butylphenoxy)ethyl]cyclopentane-1-carbonitrile
CID 79577351
1-amino-2-[2-(2-propan-2-ylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 79586489
1-methyl-2-[2-[(1S)-1,2,2-trimethylcyclohexyl]ethoxy]benzene
CID 157233752

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-[2-(2-methylphenoxy)ethyl]cyclopentan-1-ol?
The IUPAC name of 1-(aminomethyl)-2-[2-(2-methylphenoxy)ethyl]cyclopentan-1-ol (CID 79588148) is 1-(aminomethyl)-2-[2-(2-methylphenoxy)ethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-2-[2-(2-methylphenoxy)ethyl]cyclopentan-1-ol?
The canonical SMILES for 1-(aminomethyl)-2-[2-(2-methylphenoxy)ethyl]cyclopentan-1-ol is Cc1ccccc1OCCC1CCCC1(O)CN.
What is the InChIKey of 1-(aminomethyl)-2-[2-(2-methylphenoxy)ethyl]cyclopentan-1-ol?
The InChIKey is RNYHXRQRBZLROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12-5-2-3-7-14(12)18-10-8-13-6-4-9-15(13,17)11-16/h2-3,5,7,13,17H,4,6,8-11,16H2,1H3.
What are the key properties of 1-(aminomethyl)-2-[2-(2-methylphenoxy)ethyl]cyclopentan-1-ol?
1-(aminomethyl)-2-[2-(2-methylphenoxy)ethyl]cyclopentan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-[2-(2-methylphenoxy)ethyl]cyclopentan-1-ol is sourced from PubChem (CID 79588148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).