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

C19H22N4 — CID 111092490

IUPAC2-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(3-methylphenyl)guanidine
SMILESCc1cccc(N/C(N)=N/CCc2c[nH]c3cc(C)ccc23)c1
InChIInChI=1S/C19H22N4/c1-13-4-3-5-16(10-13)23-19(20)21-9-8-15-12-22-18-11-14(2)6-7-17(15)18/h3-7,10-12,22H,8-9H2,1-2H3,(H3,20,21,23)
InChIKeySPDOMEWYIZQHRG-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.75
Rot. Bonds4

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

2-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(3-methylphenyl)guanidine (PubChem CID 111092490) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(3-methylphenyl)guanidine.

Molecular Properties

Compound Name2-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(3-methylphenyl)guanidine
PubChem CID111092490
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name2-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(3-methylphenyl)guanidine
SMILESCc1cccc(N/C(N)=N/CCc2c[nH]c3cc(C)ccc23)c1
InChIInChI=1S/C19H22N4/c1-13-4-3-5-16(10-13)23-19(20)21-9-8-15-12-22-18-11-14(2)6-7-17(15)18/h3-7,10-12,22H,8-9H2,1-2H3,(H3,20,21,23)
InChIKeySPDOMEWYIZQHRG-UHFFFAOYSA-N
XLogP3.75
TPSA66.20 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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-methoxyphenyl)-2-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111092485
1-(3,4-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 111024605
2-[2-(1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111024578
1-(3-ethylphenyl)-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111802087
2-[3-(1H-indol-3-yl)propyl]-1-(4-methylphenyl)guanidine
CID 111806458
1-(3-methylphenyl)-2-(2-phenylethyl)guanidine;hydroiodide
CID 111022869
1-(3-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111806426
1-(4-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 111024620
2-[2-(2,6-difluorophenyl)ethyl]-1-(3-methylphenyl)guanidine
CID 111060675
2-hexyl-1-(3-methylphenyl)guanidine
CID 111023793
1-(3,4-dimethylphenyl)-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111100822
2-(3-hydroxypropyl)-1-(3-methylphenyl)guanidine
CID 111023654

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(3-methylphenyl)guanidine?
The IUPAC name of 2-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(3-methylphenyl)guanidine (CID 111092490) is 2-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(3-methylphenyl)guanidine.
What is the SMILES notation for 2-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(3-methylphenyl)guanidine?
The canonical SMILES for 2-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(3-methylphenyl)guanidine is Cc1cccc(N/C(N)=N/CCc2c[nH]c3cc(C)ccc23)c1.
What is the InChIKey of 2-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(3-methylphenyl)guanidine?
The InChIKey is SPDOMEWYIZQHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-13-4-3-5-16(10-13)23-19(20)21-9-8-15-12-22-18-11-14(2)6-7-17(15)18/h3-7,10-12,22H,8-9H2,1-2H3,(H3,20,21,23).
What are the key properties of 2-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(3-methylphenyl)guanidine?
2-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(3-methylphenyl)guanidine has a molecular weight of 306.41 g/mol, XLogP of 3.75, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(3-methylphenyl)guanidine is sourced from PubChem (CID 111092490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).