cyclohexyl-[3-(2,5-dimethoxyphenyl)-3-oxopropyl]azanium chloride

C17H26ClNO3 — CID 110175936

IUPACcyclohexyl-[3-(2,5-dimethoxyphenyl)-3-oxopropyl]azanium chloride
SMILESCOc1ccc(OC)c(C(=O)CC[NH2+]C2CCCCC2)c1.[Cl-]
InChIInChI=1S/C17H25NO3.ClH/c1-20-14-8-9-17(21-2)15(12-14)16(19)10-11-18-13-6-4-3-5-7-13;/h8-9,12-13,18H,3-7,10-11H2,1-2H3;1H
InChIKeyOWMOIEPAUWPKBS-UHFFFAOYSA-N
MW327.85 g/mol
LogP-0.82
Rot. Bonds7

About cyclohexyl-[3-(2,5-dimethoxyphenyl)-3-oxopropyl]azanium chloride

cyclohexyl-[3-(2,5-dimethoxyphenyl)-3-oxopropyl]azanium chloride (PubChem CID 110175936) has the molecular formula C17H26ClNO3 and a molecular weight of 327.85 g/mol. Its IUPAC name is cyclohexyl-[3-(2,5-dimethoxyphenyl)-3-oxopropyl]azanium chloride.

Molecular Properties

Compound Namecyclohexyl-[3-(2,5-dimethoxyphenyl)-3-oxopropyl]azanium chloride
PubChem CID110175936
Molecular FormulaC17H26ClNO3
Molecular Weight327.85 g/mol
Exact Mass327.16
IUPAC Namecyclohexyl-[3-(2,5-dimethoxyphenyl)-3-oxopropyl]azanium chloride
SMILESCOc1ccc(OC)c(C(=O)CC[NH2+]C2CCCCC2)c1.[Cl-]
InChIInChI=1S/C17H25NO3.ClH/c1-20-14-8-9-17(21-2)15(12-14)16(19)10-11-18-13-6-4-3-5-7-13;/h8-9,12-13,18H,3-7,10-11H2,1-2H3;1H
InChIKeyOWMOIEPAUWPKBS-UHFFFAOYSA-N
XLogP-0.82
TPSA52.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.85
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
1-(2,5-dimethoxyphenyl)pentane-1,4-dione
CID 43608296
N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659
5-chloro-1-(2,5-dimethoxyphenyl)pentan-1-one
CID 18931430
3-(2,5-dimethoxyphenyl)-3-oxopropane-1-sulfonic acid
CID 94698323
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate
CID 119090108
1-(2,5-dimethoxyphenyl)-5-methylhexan-1-one
CID 115795487
cyclohexyl-(2,5-dimethoxyphenyl)methanone;cyclohexyl-(2-hydroxy-5-methoxyphenyl)methanone
CID 68924260
1-(2,5-dimethoxyphenyl)-2-piperidin-3-ylethanone
CID 116564241
N-[2-(aminomethyl)cyclohexyl]-2,5-dimethoxybenzamide;hydrochloride
CID 119610574
2-(aziridin-1-yl)-1-(2,5-dimethoxyphenyl)ethanone
CID 94683814
N-cycloheptyl-2-(2,5-dimethoxyphenyl)acetamide
CID 7580886

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-(2,5-dimethoxyphenyl)-3-oxopropyl]azanium chloride?
The IUPAC name of cyclohexyl-[3-(2,5-dimethoxyphenyl)-3-oxopropyl]azanium chloride (CID 110175936) is cyclohexyl-[3-(2,5-dimethoxyphenyl)-3-oxopropyl]azanium chloride.
What is the SMILES notation for cyclohexyl-[3-(2,5-dimethoxyphenyl)-3-oxopropyl]azanium chloride?
The canonical SMILES for cyclohexyl-[3-(2,5-dimethoxyphenyl)-3-oxopropyl]azanium chloride is COc1ccc(OC)c(C(=O)CC[NH2+]C2CCCCC2)c1.[Cl-].
What is the InChIKey of cyclohexyl-[3-(2,5-dimethoxyphenyl)-3-oxopropyl]azanium chloride?
The InChIKey is OWMOIEPAUWPKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3.ClH/c1-20-14-8-9-17(21-2)15(12-14)16(19)10-11-18-13-6-4-3-5-7-13;/h8-9,12-13,18H,3-7,10-11H2,1-2H3;1H.
What are the key properties of cyclohexyl-[3-(2,5-dimethoxyphenyl)-3-oxopropyl]azanium chloride?
cyclohexyl-[3-(2,5-dimethoxyphenyl)-3-oxopropyl]azanium chloride has a molecular weight of 327.85 g/mol, XLogP of -0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-(2,5-dimethoxyphenyl)-3-oxopropyl]azanium chloride is sourced from PubChem (CID 110175936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).