[1-amino-3-(4-butan-2-ylphenoxy)cyclohexyl]methanol

C17H27NO2 — CID 107669171

IUPAC[1-amino-3-(4-butan-2-ylphenoxy)cyclohexyl]methanol
SMILESCCC(C)c1ccc(OC2CCCC(N)(CO)C2)cc1
InChIInChI=1S/C17H27NO2/c1-3-13(2)14-6-8-15(9-7-14)20-16-5-4-10-17(18,11-16)12-19/h6-9,13,16,19H,3-5,10-12,18H2,1-2H3
InChIKeyGUXSQPZYCAZRRD-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.21
Rot. Bonds5

About [1-amino-3-(4-butan-2-ylphenoxy)cyclohexyl]methanol

[1-amino-3-(4-butan-2-ylphenoxy)cyclohexyl]methanol (PubChem CID 107669171) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is [1-amino-3-(4-butan-2-ylphenoxy)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-amino-3-(4-butan-2-ylphenoxy)cyclohexyl]methanol
PubChem CID107669171
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name[1-amino-3-(4-butan-2-ylphenoxy)cyclohexyl]methanol
SMILESCCC(C)c1ccc(OC2CCCC(N)(CO)C2)cc1
InChIInChI=1S/C17H27NO2/c1-3-13(2)14-6-8-15(9-7-14)20-16-5-4-10-17(18,11-16)12-19/h6-9,13,16,19H,3-5,10-12,18H2,1-2H3
InChIKeyGUXSQPZYCAZRRD-UHFFFAOYSA-N
XLogP3.21
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.21
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-butan-2-ylphenoxy)cyclohexyl]methanol?
The IUPAC name of [1-amino-3-(4-butan-2-ylphenoxy)cyclohexyl]methanol (CID 107669171) is [1-amino-3-(4-butan-2-ylphenoxy)cyclohexyl]methanol.
What is the SMILES notation for [1-amino-3-(4-butan-2-ylphenoxy)cyclohexyl]methanol?
The canonical SMILES for [1-amino-3-(4-butan-2-ylphenoxy)cyclohexyl]methanol is CCC(C)c1ccc(OC2CCCC(N)(CO)C2)cc1.
What is the InChIKey of [1-amino-3-(4-butan-2-ylphenoxy)cyclohexyl]methanol?
The InChIKey is GUXSQPZYCAZRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-13(2)14-6-8-15(9-7-14)20-16-5-4-10-17(18,11-16)12-19/h6-9,13,16,19H,3-5,10-12,18H2,1-2H3.
What are the key properties of [1-amino-3-(4-butan-2-ylphenoxy)cyclohexyl]methanol?
[1-amino-3-(4-butan-2-ylphenoxy)cyclohexyl]methanol has a molecular weight of 277.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-(4-butan-2-ylphenoxy)cyclohexyl]methanol is sourced from PubChem (CID 107669171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).