1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine

C20H25N3O — CID 111034965

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine
SMILESCOc1ccc(C)cc1CC/N=C(\N)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C20H25N3O/c1-14-6-9-19(24-2)17(12-14)10-11-22-20(21)23-18-8-7-15-4-3-5-16(15)13-18/h6-9,12-13H,3-5,10-11H2,1-2H3,(H3,21,22,23)
InChIKeyKDGZKLRSJQQATL-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.46
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine

1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine (PubChem CID 111034965) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine
PubChem CID111034965
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine
SMILESCOc1ccc(C)cc1CC/N=C(\N)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C20H25N3O/c1-14-6-9-19(24-2)17(12-14)10-11-22-20(21)23-18-8-7-15-4-3-5-16(15)13-18/h6-9,12-13H,3-5,10-11H2,1-2H3,(H3,21,22,23)
InChIKeyKDGZKLRSJQQATL-UHFFFAOYSA-N
XLogP3.46
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine
CID 111080395
1-(3,5-dimethylphenyl)-2-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine;hydroiodide
CID 111034928
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111046955
1-(2,3-dihydro-1H-inden-5-yl)-2-[(2,4-dimethoxyphenyl)methyl]guanidine
CID 111044222
1-(2,3-dihydro-1H-inden-5-yl)-2-[(3-hydroxy-4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111052071
1-(2,3-dihydro-1H-inden-5-yl)-2-[(2,4-dimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111044221
2-[(3-bromo-4-methoxyphenyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 111095666
2-[2-(2,5-dimethoxyphenyl)ethyl]-1-phenylguanidine
CID 110917300
1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 111035824
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]guanidine;hydroiodide
CID 119159418
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]guanidine
CID 122097435
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-nitrophenyl)ethyl]guanidine
CID 119148171

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine (CID 111034965) is 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine is COc1ccc(C)cc1CC/N=C(\N)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine?
The InChIKey is KDGZKLRSJQQATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-14-6-9-19(24-2)17(12-14)10-11-22-20(21)23-18-8-7-15-4-3-5-16(15)13-18/h6-9,12-13H,3-5,10-11H2,1-2H3,(H3,21,22,23).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine?
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine has a molecular weight of 323.44 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine is sourced from PubChem (CID 111034965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).