4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride

C16H26ClNO2 — CID 25268065

IUPAC4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride
SMILESCN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1.Cl
InChIInChI=1S/C16H25NO2.ClH/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;/h6-9,15,18-19H,3-5,10-12H2,1-2H3;1H
InChIKeyIMWPSXHIEURNKZ-UHFFFAOYSA-N
MW299.84 g/mol
LogP3.15
Rot. Bonds4

About 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride

4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride (PubChem CID 25268065) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride.

Molecular Properties

Compound Name4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride
PubChem CID25268065
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride
SMILESCN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1.Cl
InChIInChI=1S/C16H25NO2.ClH/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;/h6-9,15,18-19H,3-5,10-12H2,1-2H3;1H
InChIKeyIMWPSXHIEURNKZ-UHFFFAOYSA-N
XLogP3.15
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride?
The IUPAC name of 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride (CID 25268065) is 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride.
What is the SMILES notation for 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride?
The canonical SMILES for 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride is CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1.Cl.
What is the InChIKey of 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride?
The InChIKey is IMWPSXHIEURNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2.ClH/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;/h6-9,15,18-19H,3-5,10-12H2,1-2H3;1H.
What are the key properties of 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride?
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride has a molecular weight of 299.84 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride is sourced from PubChem (CID 25268065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).