[3-(4-tert-butylphenoxy)-1-(methylamino)cyclopentyl]methanol

C17H27NO2 — CID 79648009

IUPAC[3-(4-tert-butylphenoxy)-1-(methylamino)cyclopentyl]methanol
SMILESCNC1(CO)CCC(Oc2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C17H27NO2/c1-16(2,3)13-5-7-14(8-6-13)20-15-9-10-17(11-15,12-19)18-4/h5-8,15,18-19H,9-12H2,1-4H3
InChIKeyCPBKLBBOJMMHBJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.87
Rot. Bonds4

About [3-(4-tert-butylphenoxy)-1-(methylamino)cyclopentyl]methanol

[3-(4-tert-butylphenoxy)-1-(methylamino)cyclopentyl]methanol (PubChem CID 79648009) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is [3-(4-tert-butylphenoxy)-1-(methylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-(4-tert-butylphenoxy)-1-(methylamino)cyclopentyl]methanol
PubChem CID79648009
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name[3-(4-tert-butylphenoxy)-1-(methylamino)cyclopentyl]methanol
SMILESCNC1(CO)CCC(Oc2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C17H27NO2/c1-16(2,3)13-5-7-14(8-6-13)20-15-9-10-17(11-15,12-19)18-4/h5-8,15,18-19H,9-12H2,1-4H3
InChIKeyCPBKLBBOJMMHBJ-UHFFFAOYSA-N
XLogP2.87
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-tert-butylphenoxy)-1-(methylamino)cyclopentyl]methanol?
The IUPAC name of [3-(4-tert-butylphenoxy)-1-(methylamino)cyclopentyl]methanol (CID 79648009) is [3-(4-tert-butylphenoxy)-1-(methylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-(4-tert-butylphenoxy)-1-(methylamino)cyclopentyl]methanol?
The canonical SMILES for [3-(4-tert-butylphenoxy)-1-(methylamino)cyclopentyl]methanol is CNC1(CO)CCC(Oc2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of [3-(4-tert-butylphenoxy)-1-(methylamino)cyclopentyl]methanol?
The InChIKey is CPBKLBBOJMMHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-16(2,3)13-5-7-14(8-6-13)20-15-9-10-17(11-15,12-19)18-4/h5-8,15,18-19H,9-12H2,1-4H3.
What are the key properties of [3-(4-tert-butylphenoxy)-1-(methylamino)cyclopentyl]methanol?
[3-(4-tert-butylphenoxy)-1-(methylamino)cyclopentyl]methanol has a molecular weight of 277.41 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-tert-butylphenoxy)-1-(methylamino)cyclopentyl]methanol is sourced from PubChem (CID 79648009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).