4-[1-(1-hydroxycyclohexyl)-2-(methylamino)ethyl]phenol

C15H23NO2 — CID 3451347

IUPAC4-[1-(1-hydroxycyclohexyl)-2-(methylamino)ethyl]phenol
SMILESCNCC(c1ccc(O)cc1)C1(O)CCCCC1
InChIInChI=1S/C15H23NO2/c1-16-11-14(12-5-7-13(17)8-6-12)15(18)9-3-2-4-10-15/h5-8,14,16-18H,2-4,9-11H2,1H3
InChIKeyMMSWXJSQCAEDLK-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.39
Rot. Bonds4

About 4-[1-(1-hydroxycyclohexyl)-2-(methylamino)ethyl]phenol

4-[1-(1-hydroxycyclohexyl)-2-(methylamino)ethyl]phenol (PubChem CID 3451347) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-[1-(1-hydroxycyclohexyl)-2-(methylamino)ethyl]phenol.

Molecular Properties

Compound Name4-[1-(1-hydroxycyclohexyl)-2-(methylamino)ethyl]phenol
PubChem CID3451347
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-[1-(1-hydroxycyclohexyl)-2-(methylamino)ethyl]phenol
SMILESCNCC(c1ccc(O)cc1)C1(O)CCCCC1
InChIInChI=1S/C15H23NO2/c1-16-11-14(12-5-7-13(17)8-6-12)15(18)9-3-2-4-10-15/h5-8,14,16-18H,2-4,9-11H2,1H3
InChIKeyMMSWXJSQCAEDLK-UHFFFAOYSA-N
XLogP2.39
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-hydroxycyclohexyl)-2-(methylamino)ethyl]phenol?
The IUPAC name of 4-[1-(1-hydroxycyclohexyl)-2-(methylamino)ethyl]phenol (CID 3451347) is 4-[1-(1-hydroxycyclohexyl)-2-(methylamino)ethyl]phenol.
What is the SMILES notation for 4-[1-(1-hydroxycyclohexyl)-2-(methylamino)ethyl]phenol?
The canonical SMILES for 4-[1-(1-hydroxycyclohexyl)-2-(methylamino)ethyl]phenol is CNCC(c1ccc(O)cc1)C1(O)CCCCC1.
What is the InChIKey of 4-[1-(1-hydroxycyclohexyl)-2-(methylamino)ethyl]phenol?
The InChIKey is MMSWXJSQCAEDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-16-11-14(12-5-7-13(17)8-6-12)15(18)9-3-2-4-10-15/h5-8,14,16-18H,2-4,9-11H2,1H3.
What are the key properties of 4-[1-(1-hydroxycyclohexyl)-2-(methylamino)ethyl]phenol?
4-[1-(1-hydroxycyclohexyl)-2-(methylamino)ethyl]phenol has a molecular weight of 249.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-hydroxycyclohexyl)-2-(methylamino)ethyl]phenol is sourced from PubChem (CID 3451347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).