1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-[(2-morpholin-4-ylphenyl)methyl]guanidine

C22H30N4O — CID 111287453

IUPAC1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-[(2-morpholin-4-ylphenyl)methyl]guanidine
SMILESC/N=C(/NCc1ccccc1N1CCOCC1)N(C)Cc1ccccc1C
InChIInChI=1S/C22H30N4O/c1-18-8-4-5-10-20(18)17-25(3)22(23-2)24-16-19-9-6-7-11-21(19)26-12-14-27-15-13-26/h4-11H,12-17H2,1-3H3,(H,23,24)
InChIKeyWAXFTUFPCDZTSM-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.04
Rot. Bonds5

About 1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-[(2-morpholin-4-ylphenyl)methyl]guanidine

1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-[(2-morpholin-4-ylphenyl)methyl]guanidine (PubChem CID 111287453) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-[(2-morpholin-4-ylphenyl)methyl]guanidine.

Molecular Properties

Compound Name1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-[(2-morpholin-4-ylphenyl)methyl]guanidine
PubChem CID111287453
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-[(2-morpholin-4-ylphenyl)methyl]guanidine
SMILESC/N=C(/NCc1ccccc1N1CCOCC1)N(C)Cc1ccccc1C
InChIInChI=1S/C22H30N4O/c1-18-8-4-5-10-20(18)17-25(3)22(23-2)24-16-19-9-6-7-11-21(19)26-12-14-27-15-13-26/h4-11H,12-17H2,1-3H3,(H,23,24)
InChIKeyWAXFTUFPCDZTSM-UHFFFAOYSA-N
XLogP3.04
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.04
H-Bond Donors ≤ 51
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

1,2-dimethyl-3-[(2-morpholin-4-ylphenyl)methyl]-1-pent-4-enylguanidine
CID 109499360
1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111287088
2-methyl-1-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 75419013
1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111286943
1-[(2-fluorophenyl)methyl]-2-methyl-3-[(2-morpholin-4-ylphenyl)methyl]guanidine
CID 111266589
1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 111287421
1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-[(4-methylsulfanyloxan-4-yl)methyl]guanidine;hydroiodide
CID 111514361
1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine
CID 111287561
1,2-dimethyl-1-[(4-methylsulfanylphenyl)methyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111299306
2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[(2-morpholin-4-ylphenyl)methyl]guanidine
CID 111217759
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,2-dimethyl-1-[(2-methylphenyl)methyl]guanidine
CID 111286971

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-[(2-morpholin-4-ylphenyl)methyl]guanidine?
The IUPAC name of 1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-[(2-morpholin-4-ylphenyl)methyl]guanidine (CID 111287453) is 1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-[(2-morpholin-4-ylphenyl)methyl]guanidine.
What is the SMILES notation for 1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-[(2-morpholin-4-ylphenyl)methyl]guanidine?
The canonical SMILES for 1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-[(2-morpholin-4-ylphenyl)methyl]guanidine is C/N=C(/NCc1ccccc1N1CCOCC1)N(C)Cc1ccccc1C.
What is the InChIKey of 1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-[(2-morpholin-4-ylphenyl)methyl]guanidine?
The InChIKey is WAXFTUFPCDZTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-18-8-4-5-10-20(18)17-25(3)22(23-2)24-16-19-9-6-7-11-21(19)26-12-14-27-15-13-26/h4-11H,12-17H2,1-3H3,(H,23,24).
What are the key properties of 1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-[(2-morpholin-4-ylphenyl)methyl]guanidine?
1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-[(2-morpholin-4-ylphenyl)methyl]guanidine has a molecular weight of 366.51 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-[(2-morpholin-4-ylphenyl)methyl]guanidine is sourced from PubChem (CID 111287453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).