3-[2-(2-aminopropan-2-yl)-1-hydroxycyclohexyl]phenol

C15H23NO2 — CID 21121346

IUPAC3-[2-(2-aminopropan-2-yl)-1-hydroxycyclohexyl]phenol
SMILESCC(C)(N)C1CCCCC1(O)c1cccc(O)c1
InChIInChI=1S/C15H23NO2/c1-14(2,16)13-8-3-4-9-15(13,18)11-6-5-7-12(17)10-11/h5-7,10,13,17-18H,3-4,8-9,16H2,1-2H3
InChIKeyMGAAWASJXFRKKK-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.51
Rot. Bonds2

About 3-[2-(2-aminopropan-2-yl)-1-hydroxycyclohexyl]phenol

3-[2-(2-aminopropan-2-yl)-1-hydroxycyclohexyl]phenol (PubChem CID 21121346) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-[2-(2-aminopropan-2-yl)-1-hydroxycyclohexyl]phenol.

Molecular Properties

Compound Name3-[2-(2-aminopropan-2-yl)-1-hydroxycyclohexyl]phenol
PubChem CID21121346
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-[2-(2-aminopropan-2-yl)-1-hydroxycyclohexyl]phenol
SMILESCC(C)(N)C1CCCCC1(O)c1cccc(O)c1
InChIInChI=1S/C15H23NO2/c1-14(2,16)13-8-3-4-9-15(13,18)11-6-5-7-12(17)10-11/h5-7,10,13,17-18H,3-4,8-9,16H2,1-2H3
InChIKeyMGAAWASJXFRKKK-UHFFFAOYSA-N
XLogP2.51
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminopropan-2-yl)-1-hydroxycyclohexyl]phenol?
The IUPAC name of 3-[2-(2-aminopropan-2-yl)-1-hydroxycyclohexyl]phenol (CID 21121346) is 3-[2-(2-aminopropan-2-yl)-1-hydroxycyclohexyl]phenol.
What is the SMILES notation for 3-[2-(2-aminopropan-2-yl)-1-hydroxycyclohexyl]phenol?
The canonical SMILES for 3-[2-(2-aminopropan-2-yl)-1-hydroxycyclohexyl]phenol is CC(C)(N)C1CCCCC1(O)c1cccc(O)c1.
What is the InChIKey of 3-[2-(2-aminopropan-2-yl)-1-hydroxycyclohexyl]phenol?
The InChIKey is MGAAWASJXFRKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-14(2,16)13-8-3-4-9-15(13,18)11-6-5-7-12(17)10-11/h5-7,10,13,17-18H,3-4,8-9,16H2,1-2H3.
What are the key properties of 3-[2-(2-aminopropan-2-yl)-1-hydroxycyclohexyl]phenol?
3-[2-(2-aminopropan-2-yl)-1-hydroxycyclohexyl]phenol has a molecular weight of 249.35 g/mol, XLogP of 2.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminopropan-2-yl)-1-hydroxycyclohexyl]phenol is sourced from PubChem (CID 21121346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).