2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine

C20H28N4O2 — CID 111089855

IUPAC2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine
SMILESCOCCNc1ccc(C/N=C(\N)Nc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C20H28N4O2/c1-15(2)26-19-10-8-18(9-11-19)24-20(21)23-14-16-4-6-17(7-5-16)22-12-13-25-3/h4-11,15,22H,12-14H2,1-3H3,(H3,21,23,24)
InChIKeyMAQPJQKGLVKAHR-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.46
Rot. Bonds9

About 2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine

2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine (PubChem CID 111089855) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine.

Molecular Properties

Compound Name2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine
PubChem CID111089855
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine
SMILESCOCCNc1ccc(C/N=C(\N)Nc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C20H28N4O2/c1-15(2)26-19-10-8-18(9-11-19)24-20(21)23-14-16-4-6-17(7-5-16)22-12-13-25-3/h4-11,15,22H,12-14H2,1-3H3,(H3,21,23,24)
InChIKeyMAQPJQKGLVKAHR-UHFFFAOYSA-N
XLogP3.46
TPSA80.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111089854
1-phenyl-2-[(4-propan-2-yloxyphenyl)methyl]guanidine
CID 110893205
2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111089820
2-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111805064
4-[[[amino-(4-propan-2-yloxyanilino)methylidene]amino]methyl]-N-butylbenzamide
CID 111070836
1-(4-propan-2-yloxyphenyl)-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
CID 111049798
1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine
CID 56956540
1-(1-methoxypropan-2-yl)-2-[(4-propan-2-yloxyphenyl)methyl]guanidine
CID 111045402
2-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111053425
2-[(3-chlorophenyl)methyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111024244
2-[2-(4-methoxyphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111024107
1-propan-2-yl-2-[(4-propan-2-yloxyphenyl)methyl]guanidine
CID 111045350

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine?
The IUPAC name of 2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine (CID 111089855) is 2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine.
What is the SMILES notation for 2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine?
The canonical SMILES for 2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine is COCCNc1ccc(C/N=C(\N)Nc2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of 2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine?
The InChIKey is MAQPJQKGLVKAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-15(2)26-19-10-8-18(9-11-19)24-20(21)23-14-16-4-6-17(7-5-16)22-12-13-25-3/h4-11,15,22H,12-14H2,1-3H3,(H3,21,23,24).
What are the key properties of 2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine?
2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine has a molecular weight of 356.47 g/mol, XLogP of 3.46, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine is sourced from PubChem (CID 111089855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).