2-benzyl-N,N-dimethyl-1-(4-morpholin-4-ylphenyl)butan-2-amine;1,3,5-triazine

C26H35N5O — CID 66962333

IUPAC2-benzyl-N,N-dimethyl-1-(4-morpholin-4-ylphenyl)butan-2-amine;1,3,5-triazine
SMILESCCC(Cc1ccccc1)(Cc1ccc(N2CCOCC2)cc1)N(C)C.c1ncncn1
InChIInChI=1S/C23H32N2O.C3H3N3/c1-4-23(24(2)3,18-20-8-6-5-7-9-20)19-21-10-12-22(13-11-21)25-14-16-26-17-15-25;1-4-2-6-3-5-1/h5-13H,4,14-19H2,1-3H3;1-3H
InChIKeyBECPSLIAGHVBTL-UHFFFAOYSA-N
MW433.60 g/mol
LogP3.89
Rot. Bonds7

About 2-benzyl-N,N-dimethyl-1-(4-morpholin-4-ylphenyl)butan-2-amine;1,3,5-triazine

2-benzyl-N,N-dimethyl-1-(4-morpholin-4-ylphenyl)butan-2-amine;1,3,5-triazine (PubChem CID 66962333) has the molecular formula C26H35N5O and a molecular weight of 433.60 g/mol. Its IUPAC name is 2-benzyl-N,N-dimethyl-1-(4-morpholin-4-ylphenyl)butan-2-amine;1,3,5-triazine.

Molecular Properties

Compound Name2-benzyl-N,N-dimethyl-1-(4-morpholin-4-ylphenyl)butan-2-amine;1,3,5-triazine
PubChem CID66962333
Molecular FormulaC26H35N5O
Molecular Weight433.60 g/mol
Exact Mass433.28
IUPAC Name2-benzyl-N,N-dimethyl-1-(4-morpholin-4-ylphenyl)butan-2-amine;1,3,5-triazine
SMILESCCC(Cc1ccccc1)(Cc1ccc(N2CCOCC2)cc1)N(C)C.c1ncncn1
InChIInChI=1S/C23H32N2O.C3H3N3/c1-4-23(24(2)3,18-20-8-6-5-7-9-20)19-21-10-12-22(13-11-21)25-14-16-26-17-15-25;1-4-2-6-3-5-1/h5-13H,4,14-19H2,1-3H3;1-3H
InChIKeyBECPSLIAGHVBTL-UHFFFAOYSA-N
XLogP3.89
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-benzyl-N,N-dimethyl-1-(4-morpholin-4-ylphenyl)butan-2-amine;1,3,5-triazine 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-benzyl-N,N-dimethyl-1-(4-morpholin-4-ylphenyl)butan-2-amine;1,3,5-triazine?
The IUPAC name of 2-benzyl-N,N-dimethyl-1-(4-morpholin-4-ylphenyl)butan-2-amine;1,3,5-triazine (CID 66962333) is 2-benzyl-N,N-dimethyl-1-(4-morpholin-4-ylphenyl)butan-2-amine;1,3,5-triazine.
What is the SMILES notation for 2-benzyl-N,N-dimethyl-1-(4-morpholin-4-ylphenyl)butan-2-amine;1,3,5-triazine?
The canonical SMILES for 2-benzyl-N,N-dimethyl-1-(4-morpholin-4-ylphenyl)butan-2-amine;1,3,5-triazine is CCC(Cc1ccccc1)(Cc1ccc(N2CCOCC2)cc1)N(C)C.c1ncncn1.
What is the InChIKey of 2-benzyl-N,N-dimethyl-1-(4-morpholin-4-ylphenyl)butan-2-amine;1,3,5-triazine?
The InChIKey is BECPSLIAGHVBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O.C3H3N3/c1-4-23(24(2)3,18-20-8-6-5-7-9-20)19-21-10-12-22(13-11-21)25-14-16-26-17-15-25;1-4-2-6-3-5-1/h5-13H,4,14-19H2,1-3H3;1-3H.
What are the key properties of 2-benzyl-N,N-dimethyl-1-(4-morpholin-4-ylphenyl)butan-2-amine;1,3,5-triazine?
2-benzyl-N,N-dimethyl-1-(4-morpholin-4-ylphenyl)butan-2-amine;1,3,5-triazine has a molecular weight of 433.60 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N,N-dimethyl-1-(4-morpholin-4-ylphenyl)butan-2-amine;1,3,5-triazine is sourced from PubChem (CID 66962333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).