4-[[1-(4-morpholin-4-ylphenyl)ethylamino]methyl]benzonitrile;hydrochloride

C20H24ClN3O — CID 48634323

IUPAC4-[[1-(4-morpholin-4-ylphenyl)ethylamino]methyl]benzonitrile;hydrochloride
SMILESCC(NCc1ccc(C#N)cc1)c1ccc(N2CCOCC2)cc1.Cl
InChIInChI=1S/C20H23N3O.ClH/c1-16(22-15-18-4-2-17(14-21)3-5-18)19-6-8-20(9-7-19)23-10-12-24-13-11-23;/h2-9,16,22H,10-13,15H2,1H3;1H
InChIKeyCZMZBQIZUUIAGV-UHFFFAOYSA-N
MW357.89 g/mol
LogP3.67
Rot. Bonds5

About 4-[[1-(4-morpholin-4-ylphenyl)ethylamino]methyl]benzonitrile;hydrochloride

4-[[1-(4-morpholin-4-ylphenyl)ethylamino]methyl]benzonitrile;hydrochloride (PubChem CID 48634323) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is 4-[[1-(4-morpholin-4-ylphenyl)ethylamino]methyl]benzonitrile;hydrochloride.

Molecular Properties

Compound Name4-[[1-(4-morpholin-4-ylphenyl)ethylamino]methyl]benzonitrile;hydrochloride
PubChem CID48634323
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name4-[[1-(4-morpholin-4-ylphenyl)ethylamino]methyl]benzonitrile;hydrochloride
SMILESCC(NCc1ccc(C#N)cc1)c1ccc(N2CCOCC2)cc1.Cl
InChIInChI=1S/C20H23N3O.ClH/c1-16(22-15-18-4-2-17(14-21)3-5-18)19-6-8-20(9-7-19)23-10-12-24-13-11-23;/h2-9,16,22H,10-13,15H2,1H3;1H
InChIKeyCZMZBQIZUUIAGV-UHFFFAOYSA-N
XLogP3.67
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[[[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]amino]methyl]benzonitrile
CID 95586172
4-[[[(1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]amino]methyl]benzonitrile
CID 95582639
4-[1-[[4-(hydroxymethyl)phenyl]methylamino]ethyl]benzonitrile
CID 110009797
4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)benzonitrile
CID 11068507
(1R)-1-(furan-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine
CID 81391853
4-[[1-(4-ethylsulfanylphenyl)ethylamino]methyl]benzonitrile
CID 119114921
3-[(4-morpholin-4-ylphenyl)methylamino]pentanenitrile
CID 62645694
(2R)-2-[(4-morpholin-4-ylphenyl)methylamino]propan-1-ol
CID 93082442
2-methyl-3-[(4-morpholin-4-ylphenyl)methylamino]propanenitrile
CID 55101596
4-[1-[(3,4-difluorophenyl)methylamino]ethyl]benzonitrile
CID 43433850
4-[1-(pyrimidin-5-ylmethylamino)ethyl]benzonitrile
CID 62758592
1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine
CID 63988276

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-morpholin-4-ylphenyl)ethylamino]methyl]benzonitrile;hydrochloride?
The IUPAC name of 4-[[1-(4-morpholin-4-ylphenyl)ethylamino]methyl]benzonitrile;hydrochloride (CID 48634323) is 4-[[1-(4-morpholin-4-ylphenyl)ethylamino]methyl]benzonitrile;hydrochloride.
What is the SMILES notation for 4-[[1-(4-morpholin-4-ylphenyl)ethylamino]methyl]benzonitrile;hydrochloride?
The canonical SMILES for 4-[[1-(4-morpholin-4-ylphenyl)ethylamino]methyl]benzonitrile;hydrochloride is CC(NCc1ccc(C#N)cc1)c1ccc(N2CCOCC2)cc1.Cl.
What is the InChIKey of 4-[[1-(4-morpholin-4-ylphenyl)ethylamino]methyl]benzonitrile;hydrochloride?
The InChIKey is CZMZBQIZUUIAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O.ClH/c1-16(22-15-18-4-2-17(14-21)3-5-18)19-6-8-20(9-7-19)23-10-12-24-13-11-23;/h2-9,16,22H,10-13,15H2,1H3;1H.
What are the key properties of 4-[[1-(4-morpholin-4-ylphenyl)ethylamino]methyl]benzonitrile;hydrochloride?
4-[[1-(4-morpholin-4-ylphenyl)ethylamino]methyl]benzonitrile;hydrochloride has a molecular weight of 357.89 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-morpholin-4-ylphenyl)ethylamino]methyl]benzonitrile;hydrochloride is sourced from PubChem (CID 48634323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).