(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride

C20H27Cl3N2O2 — CID 120988782

IUPAC(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)N1CCOC(c3ccc(Cl)c(Cl)c3)C1)C2
InChIInChI=1S/C20H26Cl2N2O2.ClH/c21-16-5-4-12(10-17(16)22)18-11-24(6-7-26-18)20(25)15-8-13-2-1-3-14(9-15)19(13)23;/h4-5,10,13-15,18-19H,1-3,6-9,11,23H2;1H
InChIKeyNENJXVASXTVDGQ-UHFFFAOYSA-N
MW433.81 g/mol
LogP4.47
Rot. Bonds2

About (9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride

(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride (PubChem CID 120988782) has the molecular formula C20H27Cl3N2O2 and a molecular weight of 433.81 g/mol. Its IUPAC name is (9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride
PubChem CID120988782
Molecular FormulaC20H27Cl3N2O2
Molecular Weight433.81 g/mol
Exact Mass432.11
IUPAC Name(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)N1CCOC(c3ccc(Cl)c(Cl)c3)C1)C2
InChIInChI=1S/C20H26Cl2N2O2.ClH/c21-16-5-4-12(10-17(16)22)18-11-24(6-7-26-18)20(25)15-8-13-2-1-3-14(9-15)19(13)23;/h4-5,10,13-15,18-19H,1-3,6-9,11,23H2;1H
InChIKeyNENJXVASXTVDGQ-UHFFFAOYSA-N
XLogP4.47
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.81
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (9-amino-3-bicyclo[3.3.1]nonanyl)-[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

(3-aminocyclohexyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride
CID 119769890
[2-(3,4-dichlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone
CID 119315643
(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone;hydrochloride
CID 120993071
cyclobutyl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
CID 71804695
[2-(4-chlorophenyl)morpholin-4-yl]-cyclohexylmethanone
CID 110327062
[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-(2-hydroxycyclopentyl)methanone
CID 110015623
(9-amino-3-bicyclo[3.3.1]nonanyl)-morpholin-4-ylmethanone;hydrochloride
CID 120983451
[(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
2-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-methoxypropan-1-one
CID 120988781
4-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentan-1-one
CID 120562102
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone
CID 95174642

Frequently Asked Questions

What is the IUPAC name of (9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride?
The IUPAC name of (9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride (CID 120988782) is (9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride.
What is the SMILES notation for (9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride?
The canonical SMILES for (9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride is Cl.NC1C2CCCC1CC(C(=O)N1CCOC(c3ccc(Cl)c(Cl)c3)C1)C2.
What is the InChIKey of (9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride?
The InChIKey is NENJXVASXTVDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Cl2N2O2.ClH/c21-16-5-4-12(10-17(16)22)18-11-24(6-7-26-18)20(25)15-8-13-2-1-3-14(9-15)19(13)23;/h4-5,10,13-15,18-19H,1-3,6-9,11,23H2;1H.
What are the key properties of (9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride?
(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride has a molecular weight of 433.81 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride is sourced from PubChem (CID 120988782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).