2-methyl-1-[2-(2-methylphenoxy)propyl]-3-[(4-morpholin-4-ylphenyl)methyl]guanidine

C23H32N4O2 — CID 111686960

IUPAC2-methyl-1-[2-(2-methylphenoxy)propyl]-3-[(4-morpholin-4-ylphenyl)methyl]guanidine
SMILESC/N=C(/NCc1ccc(N2CCOCC2)cc1)NCC(C)Oc1ccccc1C
InChIInChI=1S/C23H32N4O2/c1-18-6-4-5-7-22(18)29-19(2)16-25-23(24-3)26-17-20-8-10-21(11-9-20)27-12-14-28-15-13-27/h4-11,19H,12-17H2,1-3H3,(H2,24,25,26)
InChIKeyFCNYABYJNMGYPP-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.96
Rot. Bonds7

About 2-methyl-1-[2-(2-methylphenoxy)propyl]-3-[(4-morpholin-4-ylphenyl)methyl]guanidine

2-methyl-1-[2-(2-methylphenoxy)propyl]-3-[(4-morpholin-4-ylphenyl)methyl]guanidine (PubChem CID 111686960) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-methylphenoxy)propyl]-3-[(4-morpholin-4-ylphenyl)methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[2-(2-methylphenoxy)propyl]-3-[(4-morpholin-4-ylphenyl)methyl]guanidine
PubChem CID111686960
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name2-methyl-1-[2-(2-methylphenoxy)propyl]-3-[(4-morpholin-4-ylphenyl)methyl]guanidine
SMILESC/N=C(/NCc1ccc(N2CCOCC2)cc1)NCC(C)Oc1ccccc1C
InChIInChI=1S/C23H32N4O2/c1-18-6-4-5-7-22(18)29-19(2)16-25-23(24-3)26-17-20-8-10-21(11-9-20)27-12-14-28-15-13-27/h4-11,19H,12-17H2,1-3H3,(H2,24,25,26)
InChIKeyFCNYABYJNMGYPP-UHFFFAOYSA-N
XLogP2.96
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-[(4-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 111683279
1-[2-(4-chlorophenoxy)propyl]-2-methyl-3-[(4-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 111680695
2-methyl-1-[2-(2-methylphenoxy)propyl]-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]guanidine
CID 111686554
(2R)-2-(2-methylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
CID 99131490
1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-[(4-morpholin-4-ylphenyl)methyl]guanidine
CID 111577765
2-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(1-phenylethyl)guanidine
CID 110948634
N-[4-[[[N'-methyl-N-[2-(2-methylphenoxy)propyl]carbamimidoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 111686268
1-butan-2-yl-2-methyl-3-[(4-morpholin-4-ylphenyl)methyl]guanidine
CID 110944242
1-[2-(2-fluorophenoxy)propyl]-2-methyl-3-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]guanidine
CID 111684742
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[2-(2-methylphenoxy)propyl]guanidine;hydroiodide
CID 111503100
2-methyl-1-[2-(2-methylphenoxy)propyl]-3-[2-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111686957
1-[2-(4-fluorophenoxy)propyl]-2-methyl-3-[(2-morpholin-4-ylphenyl)methyl]guanidine
CID 111678690

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2-methylphenoxy)propyl]-3-[(4-morpholin-4-ylphenyl)methyl]guanidine?
The IUPAC name of 2-methyl-1-[2-(2-methylphenoxy)propyl]-3-[(4-morpholin-4-ylphenyl)methyl]guanidine (CID 111686960) is 2-methyl-1-[2-(2-methylphenoxy)propyl]-3-[(4-morpholin-4-ylphenyl)methyl]guanidine.
What is the SMILES notation for 2-methyl-1-[2-(2-methylphenoxy)propyl]-3-[(4-morpholin-4-ylphenyl)methyl]guanidine?
The canonical SMILES for 2-methyl-1-[2-(2-methylphenoxy)propyl]-3-[(4-morpholin-4-ylphenyl)methyl]guanidine is C/N=C(/NCc1ccc(N2CCOCC2)cc1)NCC(C)Oc1ccccc1C.
What is the InChIKey of 2-methyl-1-[2-(2-methylphenoxy)propyl]-3-[(4-morpholin-4-ylphenyl)methyl]guanidine?
The InChIKey is FCNYABYJNMGYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-18-6-4-5-7-22(18)29-19(2)16-25-23(24-3)26-17-20-8-10-21(11-9-20)27-12-14-28-15-13-27/h4-11,19H,12-17H2,1-3H3,(H2,24,25,26).
What are the key properties of 2-methyl-1-[2-(2-methylphenoxy)propyl]-3-[(4-morpholin-4-ylphenyl)methyl]guanidine?
2-methyl-1-[2-(2-methylphenoxy)propyl]-3-[(4-morpholin-4-ylphenyl)methyl]guanidine has a molecular weight of 396.54 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2-methylphenoxy)propyl]-3-[(4-morpholin-4-ylphenyl)methyl]guanidine is sourced from PubChem (CID 111686960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).