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

C16H25NO2 — CID 79647808

IUPAC[1-amino-3-(4-tert-butylphenoxy)cyclopentyl]methanol
SMILESCC(C)(C)c1ccc(OC2CCC(N)(CO)C2)cc1
InChIInChI=1S/C16H25NO2/c1-15(2,3)12-4-6-13(7-5-12)19-14-8-9-16(17,10-14)11-18/h4-7,14,18H,8-11,17H2,1-3H3
InChIKeyUVXDJYQFOCGWMX-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.61
Rot. Bonds3

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

[1-amino-3-(4-tert-butylphenoxy)cyclopentyl]methanol (PubChem CID 79647808) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [1-amino-3-(4-tert-butylphenoxy)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-3-(4-tert-butylphenoxy)cyclopentyl]methanol
PubChem CID79647808
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[1-amino-3-(4-tert-butylphenoxy)cyclopentyl]methanol
SMILESCC(C)(C)c1ccc(OC2CCC(N)(CO)C2)cc1
InChIInChI=1S/C16H25NO2/c1-15(2,3)12-4-6-13(7-5-12)19-14-8-9-16(17,10-14)11-18/h4-7,14,18H,8-11,17H2,1-3H3
InChIKeyUVXDJYQFOCGWMX-UHFFFAOYSA-N
XLogP2.61
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-amino-3-(4-tert-butylphenoxy)cyclopentyl]methanol?
The IUPAC name of [1-amino-3-(4-tert-butylphenoxy)cyclopentyl]methanol (CID 79647808) is [1-amino-3-(4-tert-butylphenoxy)cyclopentyl]methanol.
What is the SMILES notation for [1-amino-3-(4-tert-butylphenoxy)cyclopentyl]methanol?
The canonical SMILES for [1-amino-3-(4-tert-butylphenoxy)cyclopentyl]methanol is CC(C)(C)c1ccc(OC2CCC(N)(CO)C2)cc1.
What is the InChIKey of [1-amino-3-(4-tert-butylphenoxy)cyclopentyl]methanol?
The InChIKey is UVXDJYQFOCGWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-15(2,3)12-4-6-13(7-5-12)19-14-8-9-16(17,10-14)11-18/h4-7,14,18H,8-11,17H2,1-3H3.
What are the key properties of [1-amino-3-(4-tert-butylphenoxy)cyclopentyl]methanol?
[1-amino-3-(4-tert-butylphenoxy)cyclopentyl]methanol has a molecular weight of 263.38 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-(4-tert-butylphenoxy)cyclopentyl]methanol is sourced from PubChem (CID 79647808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).