3-amino-3-(4-methoxyphenyl)cyclopentan-1-ol

C12H17NO2 — CID 115025190

IUPAC3-amino-3-(4-methoxyphenyl)cyclopentan-1-ol
SMILESCOc1ccc(C2(N)CCC(O)C2)cc1
InChIInChI=1S/C12H17NO2/c1-15-11-4-2-9(3-5-11)12(13)7-6-10(14)8-12/h2-5,10,14H,6-8,13H2,1H3
InChIKeyWBVDVRODWJIZIR-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.39
Rot. Bonds2

About 3-amino-3-(4-methoxyphenyl)cyclopentan-1-ol

3-amino-3-(4-methoxyphenyl)cyclopentan-1-ol (PubChem CID 115025190) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-amino-3-(4-methoxyphenyl)cyclopentan-1-ol.

Molecular Properties

Compound Name3-amino-3-(4-methoxyphenyl)cyclopentan-1-ol
PubChem CID115025190
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-amino-3-(4-methoxyphenyl)cyclopentan-1-ol
SMILESCOc1ccc(C2(N)CCC(O)C2)cc1
InChIInChI=1S/C12H17NO2/c1-15-11-4-2-9(3-5-11)12(13)7-6-10(14)8-12/h2-5,10,14H,6-8,13H2,1H3
InChIKeyWBVDVRODWJIZIR-UHFFFAOYSA-N
XLogP1.39
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-methoxyphenyl)cyclopentan-1-ol?
The IUPAC name of 3-amino-3-(4-methoxyphenyl)cyclopentan-1-ol (CID 115025190) is 3-amino-3-(4-methoxyphenyl)cyclopentan-1-ol.
What is the SMILES notation for 3-amino-3-(4-methoxyphenyl)cyclopentan-1-ol?
The canonical SMILES for 3-amino-3-(4-methoxyphenyl)cyclopentan-1-ol is COc1ccc(C2(N)CCC(O)C2)cc1.
What is the InChIKey of 3-amino-3-(4-methoxyphenyl)cyclopentan-1-ol?
The InChIKey is WBVDVRODWJIZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-15-11-4-2-9(3-5-11)12(13)7-6-10(14)8-12/h2-5,10,14H,6-8,13H2,1H3.
What are the key properties of 3-amino-3-(4-methoxyphenyl)cyclopentan-1-ol?
3-amino-3-(4-methoxyphenyl)cyclopentan-1-ol has a molecular weight of 207.27 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-methoxyphenyl)cyclopentan-1-ol is sourced from PubChem (CID 115025190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).