(3-aminocyclohexyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride

C17H23Cl3N2O2 — CID 119769890

IUPAC(3-aminocyclohexyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride
SMILESCl.NC1CCCC(C(=O)N2CCOC(c3ccc(Cl)c(Cl)c3)C2)C1
InChIInChI=1S/C17H22Cl2N2O2.ClH/c18-14-5-4-11(9-15(14)19)16-10-21(6-7-23-16)17(22)12-2-1-3-13(20)8-12;/h4-5,9,12-13,16H,1-3,6-8,10,20H2;1H
InChIKeyZJLVOMBYYYRCGE-UHFFFAOYSA-N
MW393.74 g/mol
LogP3.83
Rot. Bonds2

About (3-aminocyclohexyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride

(3-aminocyclohexyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride (PubChem CID 119769890) has the molecular formula C17H23Cl3N2O2 and a molecular weight of 393.74 g/mol. Its IUPAC name is (3-aminocyclohexyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminocyclohexyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride
PubChem CID119769890
Molecular FormulaC17H23Cl3N2O2
Molecular Weight393.74 g/mol
Exact Mass392.08
IUPAC Name(3-aminocyclohexyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride
SMILESCl.NC1CCCC(C(=O)N2CCOC(c3ccc(Cl)c(Cl)c3)C2)C1
InChIInChI=1S/C17H22Cl2N2O2.ClH/c18-14-5-4-11(9-15(14)19)16-10-21(6-7-23-16)17(22)12-2-1-3-13(20)8-12;/h4-5,9,12-13,16H,1-3,6-8,10,20H2;1H
InChIKeyZJLVOMBYYYRCGE-UHFFFAOYSA-N
XLogP3.83
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.74
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-aminocyclohexyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride 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

(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride
CID 120988782
[2-(3,4-dichlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone
CID 119315643
[(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(4-bromophenyl)morpholin-4-yl]methanone
CID 125135358
[(1R,3S)-3-aminocyclohexyl]-[(2R)-2-(2-methylphenyl)morpholin-4-yl]methanone
CID 125153639
cyclobutyl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
CID 71804695
[2-(4-chlorophenyl)morpholin-4-yl]-cyclohexylmethanone
CID 110327062
(3-aminocyclohexyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 119724972
[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-(2-hydroxycyclopentyl)methanone
CID 110015623
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(2-methylpyrimidin-5-yl)methanone
CID 95228845
(5-chloro-2-pyridinyl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone
CID 95217596
(3-aminocyclopentyl)-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride
CID 119757298
2-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-methoxypropan-1-one
CID 120988781

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride?
The IUPAC name of (3-aminocyclohexyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride (CID 119769890) is (3-aminocyclohexyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride.
What is the SMILES notation for (3-aminocyclohexyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride?
The canonical SMILES for (3-aminocyclohexyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride is Cl.NC1CCCC(C(=O)N2CCOC(c3ccc(Cl)c(Cl)c3)C2)C1.
What is the InChIKey of (3-aminocyclohexyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride?
The InChIKey is ZJLVOMBYYYRCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O2.ClH/c18-14-5-4-11(9-15(14)19)16-10-21(6-7-23-16)17(22)12-2-1-3-13(20)8-12;/h4-5,9,12-13,16H,1-3,6-8,10,20H2;1H.
What are the key properties of (3-aminocyclohexyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride?
(3-aminocyclohexyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride has a molecular weight of 393.74 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride is sourced from PubChem (CID 119769890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).