2-(2,4-dichlorophenyl)ethyl-(2-methoxycyclohexyl)azanium

C15H22Cl2NO+ — CID 4743356

IUPAC2-(2,4-dichlorophenyl)ethyl-(2-methoxycyclohexyl)azanium
SMILESCOC1CCCCC1[NH2+]CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2NO/c1-19-15-5-3-2-4-14(15)18-9-8-11-6-7-12(16)10-13(11)17/h6-7,10,14-15,18H,2-5,8-9H2,1H3/p+1
InChIKeyIUSFWLVPOJVAGO-UHFFFAOYSA-O
MW303.25 g/mol
LogP3.06
Rot. Bonds5

About 2-(2,4-dichlorophenyl)ethyl-(2-methoxycyclohexyl)azanium

2-(2,4-dichlorophenyl)ethyl-(2-methoxycyclohexyl)azanium (PubChem CID 4743356) has the molecular formula C15H22Cl2NO+ and a molecular weight of 303.25 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)ethyl-(2-methoxycyclohexyl)azanium.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)ethyl-(2-methoxycyclohexyl)azanium
PubChem CID4743356
Molecular FormulaC15H22Cl2NO+
Molecular Weight303.25 g/mol
Exact Mass302.11
IUPAC Name2-(2,4-dichlorophenyl)ethyl-(2-methoxycyclohexyl)azanium
SMILESCOC1CCCCC1[NH2+]CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2NO/c1-19-15-5-3-2-4-14(15)18-9-8-11-6-7-12(16)10-13(11)17/h6-7,10,14-15,18H,2-5,8-9H2,1H3/p+1
InChIKeyIUSFWLVPOJVAGO-UHFFFAOYSA-O
XLogP3.06
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.25
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2,4-dichlorophenyl)ethyl-(2-methoxycyclohexyl)azanium 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

N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 2849596
2-(3-fluorophenyl)ethyl-[(1S,2S)-2-methoxycyclohexyl]azanium
CID 6962801
1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]methanamine
CID 43317354
2-(2,4-dichlorophenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium
CID 7309107
4-[(1S,2S)-2-[2-(2,4-dichlorophenyl)ethoxy]cyclohexyl]morpholine;hydrochloride
CID 16738247
N-[1-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 43761470
methyl 2-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-2-yl]acetate
CID 60520938
1-cyclohexyl-3-(2,4-dichlorophenyl)-1-ethoxypropan-2-one
CID 116751294
1,4-dichloro-2-[2-(2,4-dichlorophenyl)ethyl]benzene
CID 173469759
bis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride
CID 175176503
methyl 1-[3-(2,4-dichlorophenyl)propanoyl]pyrrolidine-2-carboxylate
CID 43423525
methyl 1-[2-(2,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168694167

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)ethyl-(2-methoxycyclohexyl)azanium?
The IUPAC name of 2-(2,4-dichlorophenyl)ethyl-(2-methoxycyclohexyl)azanium (CID 4743356) is 2-(2,4-dichlorophenyl)ethyl-(2-methoxycyclohexyl)azanium.
What is the SMILES notation for 2-(2,4-dichlorophenyl)ethyl-(2-methoxycyclohexyl)azanium?
The canonical SMILES for 2-(2,4-dichlorophenyl)ethyl-(2-methoxycyclohexyl)azanium is COC1CCCCC1[NH2+]CCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)ethyl-(2-methoxycyclohexyl)azanium?
The InChIKey is IUSFWLVPOJVAGO-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H21Cl2NO/c1-19-15-5-3-2-4-14(15)18-9-8-11-6-7-12(16)10-13(11)17/h6-7,10,14-15,18H,2-5,8-9H2,1H3/p+1.
What are the key properties of 2-(2,4-dichlorophenyl)ethyl-(2-methoxycyclohexyl)azanium?
2-(2,4-dichlorophenyl)ethyl-(2-methoxycyclohexyl)azanium has a molecular weight of 303.25 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)ethyl-(2-methoxycyclohexyl)azanium is sourced from PubChem (CID 4743356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).