1-(2-methoxy-2-phenylethyl)-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine

C22H28N4O — CID 111875793

IUPAC1-(2-methoxy-2-phenylethyl)-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine
SMILESC/N=C(/NCCc1c[nH]c2cc(C)ccc12)NCC(OC)c1ccccc1
InChIInChI=1S/C22H28N4O/c1-16-9-10-19-18(14-25-20(19)13-16)11-12-24-22(23-2)26-15-21(27-3)17-7-5-4-6-8-17/h4-10,13-14,21,25H,11-12,15H2,1-3H3,(H2,23,24,26)
InChIKeyBFCKHMXWMBZPKT-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.57
Rot. Bonds7

About 1-(2-methoxy-2-phenylethyl)-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine

1-(2-methoxy-2-phenylethyl)-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine (PubChem CID 111875793) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-(2-methoxy-2-phenylethyl)-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-(2-methoxy-2-phenylethyl)-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine
PubChem CID111875793
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name1-(2-methoxy-2-phenylethyl)-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine
SMILESC/N=C(/NCCc1c[nH]c2cc(C)ccc12)NCC(OC)c1ccccc1
InChIInChI=1S/C22H28N4O/c1-16-9-10-19-18(14-25-20(19)13-16)11-12-24-22(23-2)26-15-21(27-3)17-7-5-4-6-8-17/h4-10,13-14,21,25H,11-12,15H2,1-3H3,(H2,23,24,26)
InChIKeyBFCKHMXWMBZPKT-UHFFFAOYSA-N
XLogP3.57
TPSA61.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.57
H-Bond Donors ≤ 53
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

2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-morpholin-4-yl-2-phenylethyl)guanidine
CID 111973612
2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
CID 111973964
1-(2-methoxy-2-methylpropyl)-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111608451
2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-propan-2-ylguanidine;hydroiodide
CID 111127001
2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine
CID 111368247
1-[(2-fluorophenyl)methyl]-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111264534
1-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111974115
2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(3-methylsulfonylpropyl)guanidine
CID 111973790
2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111377106
2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 111973650
1-[2-(2-fluorophenyl)ethyl]-3-(2-methoxy-2-phenylethyl)-2-methylguanidine;hydroiodide
CID 111362250
1-(3-cyclopentyloxypropyl)-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111974437

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-phenylethyl)-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine?
The IUPAC name of 1-(2-methoxy-2-phenylethyl)-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine (CID 111875793) is 1-(2-methoxy-2-phenylethyl)-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine.
What is the SMILES notation for 1-(2-methoxy-2-phenylethyl)-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine?
The canonical SMILES for 1-(2-methoxy-2-phenylethyl)-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine is C/N=C(/NCCc1c[nH]c2cc(C)ccc12)NCC(OC)c1ccccc1.
What is the InChIKey of 1-(2-methoxy-2-phenylethyl)-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine?
The InChIKey is BFCKHMXWMBZPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-16-9-10-19-18(14-25-20(19)13-16)11-12-24-22(23-2)26-15-21(27-3)17-7-5-4-6-8-17/h4-10,13-14,21,25H,11-12,15H2,1-3H3,(H2,23,24,26).
What are the key properties of 1-(2-methoxy-2-phenylethyl)-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine?
1-(2-methoxy-2-phenylethyl)-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine has a molecular weight of 364.49 g/mol, XLogP of 3.57, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-phenylethyl)-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine is sourced from PubChem (CID 111875793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).