4-[(2R)-2-amino-3-morpholin-4-ylpropyl]benzonitrile;dihydrochloride

C14H21Cl2N3O — CID 139301134

IUPAC4-[(2R)-2-amino-3-morpholin-4-ylpropyl]benzonitrile;dihydrochloride
SMILESCl.Cl.N#Cc1ccc(C[C@@H](N)CN2CCOCC2)cc1
InChIInChI=1S/C14H19N3O.2ClH/c15-10-13-3-1-12(2-4-13)9-14(16)11-17-5-7-18-8-6-17;;/h1-4,14H,5-9,11,16H2;2*1H/t14-;;/m1../s1
InChIKeyYBFXWNBUHCKMPB-FMOMHUKBSA-N
MW318.25 g/mol
LogP1.60
Rot. Bonds4

About 4-[(2R)-2-amino-3-morpholin-4-ylpropyl]benzonitrile;dihydrochloride

4-[(2R)-2-amino-3-morpholin-4-ylpropyl]benzonitrile;dihydrochloride (PubChem CID 139301134) has the molecular formula C14H21Cl2N3O and a molecular weight of 318.25 g/mol. Its IUPAC name is 4-[(2R)-2-amino-3-morpholin-4-ylpropyl]benzonitrile;dihydrochloride.

Molecular Properties

Compound Name4-[(2R)-2-amino-3-morpholin-4-ylpropyl]benzonitrile;dihydrochloride
PubChem CID139301134
Molecular FormulaC14H21Cl2N3O
Molecular Weight318.25 g/mol
Exact Mass317.11
IUPAC Name4-[(2R)-2-amino-3-morpholin-4-ylpropyl]benzonitrile;dihydrochloride
SMILESCl.Cl.N#Cc1ccc(C[C@@H](N)CN2CCOCC2)cc1
InChIInChI=1S/C14H19N3O.2ClH/c15-10-13-3-1-12(2-4-13)9-14(16)11-17-5-7-18-8-6-17;;/h1-4,14H,5-9,11,16H2;2*1H/t14-;;/m1../s1
InChIKeyYBFXWNBUHCKMPB-FMOMHUKBSA-N
XLogP1.60
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(2R)-2-amino-3-morpholin-4-ylpropyl]benzonitrile;dihydrochloride 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

4-[(2R)-2-amino-3-pyrrolidin-1-ylpropyl]benzonitrile
CID 129196836
4-(1-hydroxy-2-morpholin-4-ylethyl)benzonitrile
CID 43288546
4-(2-hydroxy-3-morpholin-4-ylpropoxy)benzonitrile
CID 3746908
4-(3-morpholin-4-ylpropoxy)benzonitrile
CID 2993836
4-(2-amino-3-oxo-3-pyrrolidin-1-ylpropyl)benzonitrile;hydrochloride
CID 19703184
(2S,3R)-3-amino-1-morpholin-4-yl-4-phenylbutan-2-ol;sulfane;dihydrochloride
CID 161196284
4-[4-(morpholin-4-ylmethyl)benzoyl]benzonitrile
CID 24724224
4-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]benzonitrile
CID 3133121
4-[(3-morpholin-4-ylpropylamino)methyl]benzonitrile
CID 28672523
(2R)-3-morpholin-4-ylpropane-1,2-diamine
CID 50989617
4-(2-aminohexyl)benzonitrile
CID 174547393
1-(azepan-1-yl)-3-(4-tert-butylphenyl)propan-2-amine;dihydrochloride
CID 10155485

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-amino-3-morpholin-4-ylpropyl]benzonitrile;dihydrochloride?
The IUPAC name of 4-[(2R)-2-amino-3-morpholin-4-ylpropyl]benzonitrile;dihydrochloride (CID 139301134) is 4-[(2R)-2-amino-3-morpholin-4-ylpropyl]benzonitrile;dihydrochloride.
What is the SMILES notation for 4-[(2R)-2-amino-3-morpholin-4-ylpropyl]benzonitrile;dihydrochloride?
The canonical SMILES for 4-[(2R)-2-amino-3-morpholin-4-ylpropyl]benzonitrile;dihydrochloride is Cl.Cl.N#Cc1ccc(C[C@@H](N)CN2CCOCC2)cc1.
What is the InChIKey of 4-[(2R)-2-amino-3-morpholin-4-ylpropyl]benzonitrile;dihydrochloride?
The InChIKey is YBFXWNBUHCKMPB-FMOMHUKBSA-N. The full InChI is InChI=1S/C14H19N3O.2ClH/c15-10-13-3-1-12(2-4-13)9-14(16)11-17-5-7-18-8-6-17;;/h1-4,14H,5-9,11,16H2;2*1H/t14-;;/m1../s1.
What are the key properties of 4-[(2R)-2-amino-3-morpholin-4-ylpropyl]benzonitrile;dihydrochloride?
4-[(2R)-2-amino-3-morpholin-4-ylpropyl]benzonitrile;dihydrochloride has a molecular weight of 318.25 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-amino-3-morpholin-4-ylpropyl]benzonitrile;dihydrochloride is sourced from PubChem (CID 139301134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).