1-(2-benzyl-4-morpholin-4-ylphenyl)-4-bromo-N,N-dimethylbutan-2-amine

C23H31BrN2O — CID 150014617

IUPAC1-(2-benzyl-4-morpholin-4-ylphenyl)-4-bromo-N,N-dimethylbutan-2-amine
SMILESCN(C)C(CCBr)Cc1ccc(N2CCOCC2)cc1Cc1ccccc1
InChIInChI=1S/C23H31BrN2O/c1-25(2)22(10-11-24)17-20-8-9-23(26-12-14-27-15-13-26)18-21(20)16-19-6-4-3-5-7-19/h3-9,18,22H,10-17H2,1-2H3
InChIKeyDDZNYPFIMHYOJN-UHFFFAOYSA-N
MW431.42 g/mol
LogP4.37
Rot. Bonds8

About 1-(2-benzyl-4-morpholin-4-ylphenyl)-4-bromo-N,N-dimethylbutan-2-amine

1-(2-benzyl-4-morpholin-4-ylphenyl)-4-bromo-N,N-dimethylbutan-2-amine (PubChem CID 150014617) has the molecular formula C23H31BrN2O and a molecular weight of 431.42 g/mol. Its IUPAC name is 1-(2-benzyl-4-morpholin-4-ylphenyl)-4-bromo-N,N-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(2-benzyl-4-morpholin-4-ylphenyl)-4-bromo-N,N-dimethylbutan-2-amine
PubChem CID150014617
Molecular FormulaC23H31BrN2O
Molecular Weight431.42 g/mol
Exact Mass430.16
IUPAC Name1-(2-benzyl-4-morpholin-4-ylphenyl)-4-bromo-N,N-dimethylbutan-2-amine
SMILESCN(C)C(CCBr)Cc1ccc(N2CCOCC2)cc1Cc1ccccc1
InChIInChI=1S/C23H31BrN2O/c1-25(2)22(10-11-24)17-20-8-9-23(26-12-14-27-15-13-26)18-21(20)16-19-6-4-3-5-7-19/h3-9,18,22H,10-17H2,1-2H3
InChIKeyDDZNYPFIMHYOJN-UHFFFAOYSA-N
XLogP4.37
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-benzyl-4-morpholin-4-ylphenyl)-4-bromo-N,N-dimethylbutan-2-amine 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 1-(2-benzyl-4-morpholin-4-ylphenyl)-4-bromo-N,N-dimethylbutan-2-amine?
The IUPAC name of 1-(2-benzyl-4-morpholin-4-ylphenyl)-4-bromo-N,N-dimethylbutan-2-amine (CID 150014617) is 1-(2-benzyl-4-morpholin-4-ylphenyl)-4-bromo-N,N-dimethylbutan-2-amine.
What is the SMILES notation for 1-(2-benzyl-4-morpholin-4-ylphenyl)-4-bromo-N,N-dimethylbutan-2-amine?
The canonical SMILES for 1-(2-benzyl-4-morpholin-4-ylphenyl)-4-bromo-N,N-dimethylbutan-2-amine is CN(C)C(CCBr)Cc1ccc(N2CCOCC2)cc1Cc1ccccc1.
What is the InChIKey of 1-(2-benzyl-4-morpholin-4-ylphenyl)-4-bromo-N,N-dimethylbutan-2-amine?
The InChIKey is DDZNYPFIMHYOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31BrN2O/c1-25(2)22(10-11-24)17-20-8-9-23(26-12-14-27-15-13-26)18-21(20)16-19-6-4-3-5-7-19/h3-9,18,22H,10-17H2,1-2H3.
What are the key properties of 1-(2-benzyl-4-morpholin-4-ylphenyl)-4-bromo-N,N-dimethylbutan-2-amine?
1-(2-benzyl-4-morpholin-4-ylphenyl)-4-bromo-N,N-dimethylbutan-2-amine has a molecular weight of 431.42 g/mol, XLogP of 4.37, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-4-morpholin-4-ylphenyl)-4-bromo-N,N-dimethylbutan-2-amine is sourced from PubChem (CID 150014617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).