2-[(4-benzylmorpholin-2-yl)methylamino]-6-chlorobenzonitrile

C19H20ClN3O — CID 17436865

IUPAC2-[(4-benzylmorpholin-2-yl)methylamino]-6-chlorobenzonitrile
SMILESN#Cc1c(Cl)cccc1NCC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C19H20ClN3O/c20-18-7-4-8-19(17(18)11-21)22-12-16-14-23(9-10-24-16)13-15-5-2-1-3-6-15/h1-8,16,22H,9-10,12-14H2
InChIKeyRHLHIUFYMZLRDE-UHFFFAOYSA-N
MW341.84 g/mol
LogP3.52
Rot. Bonds5

About 2-[(4-benzylmorpholin-2-yl)methylamino]-6-chlorobenzonitrile

2-[(4-benzylmorpholin-2-yl)methylamino]-6-chlorobenzonitrile (PubChem CID 17436865) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is 2-[(4-benzylmorpholin-2-yl)methylamino]-6-chlorobenzonitrile.

Molecular Properties

Compound Name2-[(4-benzylmorpholin-2-yl)methylamino]-6-chlorobenzonitrile
PubChem CID17436865
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name2-[(4-benzylmorpholin-2-yl)methylamino]-6-chlorobenzonitrile
SMILESN#Cc1c(Cl)cccc1NCC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C19H20ClN3O/c20-18-7-4-8-19(17(18)11-21)22-12-16-14-23(9-10-24-16)13-15-5-2-1-3-6-15/h1-8,16,22H,9-10,12-14H2
InChIKeyRHLHIUFYMZLRDE-UHFFFAOYSA-N
XLogP3.52
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-benzylmorpholin-2-yl)methylamino]-6-chlorobenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzylmorpholin-2-yl)methylamino]-6-chlorobenzonitrile?
The IUPAC name of 2-[(4-benzylmorpholin-2-yl)methylamino]-6-chlorobenzonitrile (CID 17436865) is 2-[(4-benzylmorpholin-2-yl)methylamino]-6-chlorobenzonitrile.
What is the SMILES notation for 2-[(4-benzylmorpholin-2-yl)methylamino]-6-chlorobenzonitrile?
The canonical SMILES for 2-[(4-benzylmorpholin-2-yl)methylamino]-6-chlorobenzonitrile is N#Cc1c(Cl)cccc1NCC1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 2-[(4-benzylmorpholin-2-yl)methylamino]-6-chlorobenzonitrile?
The InChIKey is RHLHIUFYMZLRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c20-18-7-4-8-19(17(18)11-21)22-12-16-14-23(9-10-24-16)13-15-5-2-1-3-6-15/h1-8,16,22H,9-10,12-14H2.
What are the key properties of 2-[(4-benzylmorpholin-2-yl)methylamino]-6-chlorobenzonitrile?
2-[(4-benzylmorpholin-2-yl)methylamino]-6-chlorobenzonitrile has a molecular weight of 341.84 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzylmorpholin-2-yl)methylamino]-6-chlorobenzonitrile is sourced from PubChem (CID 17436865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).