1-(aminomethyl)-2-[2-(3,5-dimethylphenoxy)ethyl]cyclopentan-1-ol

C16H25NO2 — CID 79587895

IUPAC1-(aminomethyl)-2-[2-(3,5-dimethylphenoxy)ethyl]cyclopentan-1-ol
SMILESCc1cc(C)cc(OCCC2CCCC2(O)CN)c1
InChIInChI=1S/C16H25NO2/c1-12-8-13(2)10-15(9-12)19-7-5-14-4-3-6-16(14,18)11-17/h8-10,14,18H,3-7,11,17H2,1-2H3
InChIKeyABVLACBSBZXIPW-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.56
Rot. Bonds5

About 1-(aminomethyl)-2-[2-(3,5-dimethylphenoxy)ethyl]cyclopentan-1-ol

1-(aminomethyl)-2-[2-(3,5-dimethylphenoxy)ethyl]cyclopentan-1-ol (PubChem CID 79587895) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(aminomethyl)-2-[2-(3,5-dimethylphenoxy)ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-2-[2-(3,5-dimethylphenoxy)ethyl]cyclopentan-1-ol
PubChem CID79587895
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(aminomethyl)-2-[2-(3,5-dimethylphenoxy)ethyl]cyclopentan-1-ol
SMILESCc1cc(C)cc(OCCC2CCCC2(O)CN)c1
InChIInChI=1S/C16H25NO2/c1-12-8-13(2)10-15(9-12)19-7-5-14-4-3-6-16(14,18)11-17/h8-10,14,18H,3-7,11,17H2,1-2H3
InChIKeyABVLACBSBZXIPW-UHFFFAOYSA-N
XLogP2.56
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-[2-(3,5-dimethylphenoxy)ethyl]cyclopentan-1-ol?
The IUPAC name of 1-(aminomethyl)-2-[2-(3,5-dimethylphenoxy)ethyl]cyclopentan-1-ol (CID 79587895) is 1-(aminomethyl)-2-[2-(3,5-dimethylphenoxy)ethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-2-[2-(3,5-dimethylphenoxy)ethyl]cyclopentan-1-ol?
The canonical SMILES for 1-(aminomethyl)-2-[2-(3,5-dimethylphenoxy)ethyl]cyclopentan-1-ol is Cc1cc(C)cc(OCCC2CCCC2(O)CN)c1.
What is the InChIKey of 1-(aminomethyl)-2-[2-(3,5-dimethylphenoxy)ethyl]cyclopentan-1-ol?
The InChIKey is ABVLACBSBZXIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-8-13(2)10-15(9-12)19-7-5-14-4-3-6-16(14,18)11-17/h8-10,14,18H,3-7,11,17H2,1-2H3.
What are the key properties of 1-(aminomethyl)-2-[2-(3,5-dimethylphenoxy)ethyl]cyclopentan-1-ol?
1-(aminomethyl)-2-[2-(3,5-dimethylphenoxy)ethyl]cyclopentan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.56, 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-(3,5-dimethylphenoxy)ethyl]cyclopentan-1-ol is sourced from PubChem (CID 79587895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).