2-methyl-1-(2-methyl-2-phenylpropyl)-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]guanidine

C24H34N4O — CID 111947779

IUPAC2-methyl-1-(2-methyl-2-phenylpropyl)-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
SMILESC/N=C(/NCc1cccc(CN2CCOCC2)c1)NCC(C)(C)c1ccccc1
InChIInChI=1S/C24H34N4O/c1-24(2,22-10-5-4-6-11-22)19-27-23(25-3)26-17-20-8-7-9-21(16-20)18-28-12-14-29-15-13-28/h4-11,16H,12-15,17-19H2,1-3H3,(H2,25,26,27)
InChIKeyGHSJLWLTVPSZTJ-UHFFFAOYSA-N
MW394.56 g/mol
LogP3.16
Rot. Bonds7

About 2-methyl-1-(2-methyl-2-phenylpropyl)-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]guanidine

2-methyl-1-(2-methyl-2-phenylpropyl)-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]guanidine (PubChem CID 111947779) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-2-phenylpropyl)-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-2-phenylpropyl)-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
PubChem CID111947779
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC Name2-methyl-1-(2-methyl-2-phenylpropyl)-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
SMILESC/N=C(/NCc1cccc(CN2CCOCC2)c1)NCC(C)(C)c1ccccc1
InChIInChI=1S/C24H34N4O/c1-24(2,22-10-5-4-6-11-22)19-27-23(25-3)26-17-20-8-7-9-21(16-20)18-28-12-14-29-15-13-28/h4-11,16H,12-15,17-19H2,1-3H3,(H2,25,26,27)
InChIKeyGHSJLWLTVPSZTJ-UHFFFAOYSA-N
XLogP3.16
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111610500
2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-ylethyl)guanidine
CID 111062892
2-methyl-1-(3-methylbutan-2-yl)-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111000377
2-methyl-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111138599
2-methyl-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111416322
1-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111374849
2-methyl-1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111375235
2-methyl-1-(2-methyl-2-phenylpropyl)-3-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 111948098
1-(1-benzyl-2-methylpiperidin-4-yl)-2-methyl-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 109458664
1-[[3-(methoxymethyl)phenyl]methyl]-2-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111375175
2-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111707014
2-methyl-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111909254

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-2-phenylpropyl)-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]guanidine?
The IUPAC name of 2-methyl-1-(2-methyl-2-phenylpropyl)-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]guanidine (CID 111947779) is 2-methyl-1-(2-methyl-2-phenylpropyl)-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]guanidine.
What is the SMILES notation for 2-methyl-1-(2-methyl-2-phenylpropyl)-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]guanidine?
The canonical SMILES for 2-methyl-1-(2-methyl-2-phenylpropyl)-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]guanidine is C/N=C(/NCc1cccc(CN2CCOCC2)c1)NCC(C)(C)c1ccccc1.
What is the InChIKey of 2-methyl-1-(2-methyl-2-phenylpropyl)-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]guanidine?
The InChIKey is GHSJLWLTVPSZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O/c1-24(2,22-10-5-4-6-11-22)19-27-23(25-3)26-17-20-8-7-9-21(16-20)18-28-12-14-29-15-13-28/h4-11,16H,12-15,17-19H2,1-3H3,(H2,25,26,27).
What are the key properties of 2-methyl-1-(2-methyl-2-phenylpropyl)-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]guanidine?
2-methyl-1-(2-methyl-2-phenylpropyl)-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]guanidine has a molecular weight of 394.56 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-2-phenylpropyl)-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]guanidine is sourced from PubChem (CID 111947779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).