1-(4-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine

C19H22N4 — CID 111024620

IUPAC1-(4-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
SMILESCCc1ccc(N/C(N)=N/CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H22N4/c1-2-14-7-9-16(10-8-14)23-19(20)21-12-11-15-13-22-18-6-4-3-5-17(15)18/h3-10,13,22H,2,11-12H2,1H3,(H3,20,21,23)
InChIKeyYJYPYICBKUIORY-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.70
Rot. Bonds5

About 1-(4-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine

1-(4-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine (PubChem CID 111024620) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
PubChem CID111024620
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name1-(4-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
SMILESCCc1ccc(N/C(N)=N/CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H22N4/c1-2-14-7-9-16(10-8-14)23-19(20)21-12-11-15-13-22-18-6-4-3-5-17(15)18/h3-10,13,22H,2,11-12H2,1H3,(H3,20,21,23)
InChIKeyYJYPYICBKUIORY-UHFFFAOYSA-N
XLogP3.70
TPSA66.20 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.70
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-(4-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine;hydroiodide
CID 111806445
1-(3,4-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 111024605
2-[3-(1H-indol-3-yl)propyl]-1-(4-methylphenyl)guanidine
CID 111806458
1-(3-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111806426
2-[2-(1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111024578
1-(4-ethylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea
CID 7962474
2-[2-(1H-indol-3-yl)ethyl]-1-(2-methoxyphenyl)guanidine
CID 111024581
1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 2947810
1-(3-ethylphenyl)-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111802087
2-[2-(1H-indol-3-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111720624
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111024611
2-[4-(1H-indol-3-yl)butyl]-1-[4-(1H-indol-3-yl)butylideneamino]guanidine
CID 69151289

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine?
The IUPAC name of 1-(4-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine (CID 111024620) is 1-(4-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine?
The canonical SMILES for 1-(4-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine is CCc1ccc(N/C(N)=N/CCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine?
The InChIKey is YJYPYICBKUIORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-2-14-7-9-16(10-8-14)23-19(20)21-12-11-15-13-22-18-6-4-3-5-17(15)18/h3-10,13,22H,2,11-12H2,1H3,(H3,20,21,23).
What are the key properties of 1-(4-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine?
1-(4-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine has a molecular weight of 306.41 g/mol, XLogP of 3.70, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine is sourced from PubChem (CID 111024620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).