[2-[1-(3,4-dichlorophenyl)cyclobutyl]-2-hydroxyethyl]-diethylazanium

C16H24Cl2NO+ — CID 144796606

IUPAC[2-[1-(3,4-dichlorophenyl)cyclobutyl]-2-hydroxyethyl]-diethylazanium
SMILESCC[NH+](CC)CC(O)C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C16H23Cl2NO/c1-3-19(4-2)11-15(20)16(8-5-9-16)12-6-7-13(17)14(18)10-12/h6-7,10,15,20H,3-5,8-9,11H2,1-2H3/p+1
InChIKeyOHFFBEXQXIBMOO-UHFFFAOYSA-O
MW317.28 g/mol
LogP2.70
Rot. Bonds6

About [2-[1-(3,4-dichlorophenyl)cyclobutyl]-2-hydroxyethyl]-diethylazanium

[2-[1-(3,4-dichlorophenyl)cyclobutyl]-2-hydroxyethyl]-diethylazanium (PubChem CID 144796606) has the molecular formula C16H24Cl2NO+ and a molecular weight of 317.28 g/mol. Its IUPAC name is [2-[1-(3,4-dichlorophenyl)cyclobutyl]-2-hydroxyethyl]-diethylazanium.

Molecular Properties

Compound Name[2-[1-(3,4-dichlorophenyl)cyclobutyl]-2-hydroxyethyl]-diethylazanium
PubChem CID144796606
Molecular FormulaC16H24Cl2NO+
Molecular Weight317.28 g/mol
Exact Mass316.12
IUPAC Name[2-[1-(3,4-dichlorophenyl)cyclobutyl]-2-hydroxyethyl]-diethylazanium
SMILESCC[NH+](CC)CC(O)C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C16H23Cl2NO/c1-3-19(4-2)11-15(20)16(8-5-9-16)12-6-7-13(17)14(18)10-12/h6-7,10,15,20H,3-5,8-9,11H2,1-2H3/p+1
InChIKeyOHFFBEXQXIBMOO-UHFFFAOYSA-O
XLogP2.70
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.28
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [2-[1-(3,4-dichlorophenyl)cyclobutyl]-2-hydroxyethyl]-diethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(3,4-dichlorophenyl)cyclobutyl]-3-ethyl-4-methylpentan-1-ol chloride
CID 161293089
[2-[1-(3,4-dichlorophenyl)cyclobutyl]-2-hydroxyethyl]-(1-methylcyclopropyl)azanium
CID 140667647
cyclobutyl-[2-[1-(3,4-dichlorophenyl)cyclobutyl]-2-hydroxyethyl]azanium
CID 140667641
2-[1-(3,4-dichlorophenyl)cyclobutyl]-2-hydroxyacetonitrile
CID 19823670
1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-(dimethylamino)butan-2-one
CID 19823701
5-[1-(3,4-dichlorophenyl)cyclobutyl]-5-(dimethylamino)pentane-1,2-diol
CID 19823817
8-[1-(3,4-dichlorophenyl)cyclobutyl]-8-(dimethylamino)octan-2-ol
CID 19823631
(1S)-1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine
CID 121492395
4-amino-4-[1-(3,4-dichlorophenyl)cyclobutyl]butan-1-ol;hydrochloride
CID 19823772
1,2-dichloro-4-(1-methylcyclopropyl)benzene;ethane;propane
CID 143403247
1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,3-dimethylbutan-1-amine
CID 53321125
N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]-3-ethylpentyl]-2-methoxyacetamide
CID 13279955

Frequently Asked Questions

What is the IUPAC name of [2-[1-(3,4-dichlorophenyl)cyclobutyl]-2-hydroxyethyl]-diethylazanium?
The IUPAC name of [2-[1-(3,4-dichlorophenyl)cyclobutyl]-2-hydroxyethyl]-diethylazanium (CID 144796606) is [2-[1-(3,4-dichlorophenyl)cyclobutyl]-2-hydroxyethyl]-diethylazanium.
What is the SMILES notation for [2-[1-(3,4-dichlorophenyl)cyclobutyl]-2-hydroxyethyl]-diethylazanium?
The canonical SMILES for [2-[1-(3,4-dichlorophenyl)cyclobutyl]-2-hydroxyethyl]-diethylazanium is CC[NH+](CC)CC(O)C1(c2ccc(Cl)c(Cl)c2)CCC1.
What is the InChIKey of [2-[1-(3,4-dichlorophenyl)cyclobutyl]-2-hydroxyethyl]-diethylazanium?
The InChIKey is OHFFBEXQXIBMOO-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H23Cl2NO/c1-3-19(4-2)11-15(20)16(8-5-9-16)12-6-7-13(17)14(18)10-12/h6-7,10,15,20H,3-5,8-9,11H2,1-2H3/p+1.
What are the key properties of [2-[1-(3,4-dichlorophenyl)cyclobutyl]-2-hydroxyethyl]-diethylazanium?
[2-[1-(3,4-dichlorophenyl)cyclobutyl]-2-hydroxyethyl]-diethylazanium has a molecular weight of 317.28 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(3,4-dichlorophenyl)cyclobutyl]-2-hydroxyethyl]-diethylazanium is sourced from PubChem (CID 144796606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).