1-(3,4-dimethylphenyl)-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine

C22H30N4O2 — CID 111084173

IUPAC1-(3,4-dimethylphenyl)-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
SMILESCc1ccc(N/C(N)=N/Cc2cccc(OCCN3CCOCC3)c2)cc1C
InChIInChI=1S/C22H30N4O2/c1-17-6-7-20(14-18(17)2)25-22(23)24-16-19-4-3-5-21(15-19)28-13-10-26-8-11-27-12-9-26/h3-7,14-15H,8-13,16H2,1-2H3,(H3,23,24,25)
InChIKeyNEBGJFHUROBHGN-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.94
Rot. Bonds7

About 1-(3,4-dimethylphenyl)-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine

1-(3,4-dimethylphenyl)-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine (PubChem CID 111084173) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
PubChem CID111084173
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-(3,4-dimethylphenyl)-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
SMILESCc1ccc(N/C(N)=N/Cc2cccc(OCCN3CCOCC3)c2)cc1C
InChIInChI=1S/C22H30N4O2/c1-17-6-7-20(14-18(17)2)25-22(23)24-16-19-4-3-5-21(15-19)28-13-10-26-8-11-27-12-9-26/h3-7,14-15H,8-13,16H2,1-2H3,(H3,23,24,25)
InChIKeyNEBGJFHUROBHGN-UHFFFAOYSA-N
XLogP2.94
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-ethoxypropyl)-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 111084185
2-[3-[[[amino-(3,4-dimethylanilino)methylidene]amino]methyl]phenoxy]acetamide;hydroiodide
CID 111801747
1-cyclopropyl-1-methyl-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110030640
1-(3,4-dimethylphenyl)-2-[(3-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 111045947
N-ethyl-N'-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide
CID 110955428
1-ethyl-3-(2-methylpropyl)-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 111180353
1-ethyl-2-[(3-methylphenyl)methyl]-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 111900717
1-ethyl-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111415496
2-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111099575
[3-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 7164622
1-ethyl-3-(3-methoxypropyl)-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110973908
1-cyclopropyl-3-ethyl-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 75535412

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine (CID 111084173) is 1-(3,4-dimethylphenyl)-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine is Cc1ccc(N/C(N)=N/Cc2cccc(OCCN3CCOCC3)c2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine?
The InChIKey is NEBGJFHUROBHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-17-6-7-20(14-18(17)2)25-22(23)24-16-19-4-3-5-21(15-19)28-13-10-26-8-11-27-12-9-26/h3-7,14-15H,8-13,16H2,1-2H3,(H3,23,24,25).
What are the key properties of 1-(3,4-dimethylphenyl)-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine?
1-(3,4-dimethylphenyl)-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine has a molecular weight of 382.51 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine is sourced from PubChem (CID 111084173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).