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

C20H24N4 — CID 111806426

IUPAC1-(3-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine
SMILESCCc1cccc(N/C(N)=N/CCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C20H24N4/c1-2-15-7-5-9-17(13-15)24-20(21)22-12-6-8-16-14-23-19-11-4-3-10-18(16)19/h3-5,7,9-11,13-14,23H,2,6,8,12H2,1H3,(H3,21,22,24)
InChIKeyHOMINILYVCFDMO-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.09
Rot. Bonds6

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

1-(3-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine (PubChem CID 111806426) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine.

Molecular Properties

Compound Name1-(3-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine
PubChem CID111806426
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name1-(3-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine
SMILESCCc1cccc(N/C(N)=N/CCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C20H24N4/c1-2-15-7-5-9-17(13-15)24-20(21)22-12-6-8-16-14-23-19-11-4-3-10-18(16)19/h3-5,7,9-11,13-14,23H,2,6,8,12H2,1H3,(H3,21,22,24)
InChIKeyHOMINILYVCFDMO-UHFFFAOYSA-N
XLogP4.09
TPSA66.20 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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

1-(4-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine;hydroiodide
CID 111806445
2-[3-(1H-indol-3-yl)propyl]-1-(4-methylphenyl)guanidine
CID 111806458
1-(4-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 111024620
1-(3-ethylphenyl)-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111802087
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-butyl-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111806494
2-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(3-methylphenyl)guanidine
CID 111092490
1-(3-ethylphenyl)-2-(3-methoxypropyl)guanidine
CID 111023612
2-[3-(1H-indol-3-yl)propyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 111108916
1-(3-ethylphenyl)-2-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide
CID 111031276
1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 2947810

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine?
The IUPAC name of 1-(3-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine (CID 111806426) is 1-(3-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine.
What is the SMILES notation for 1-(3-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine?
The canonical SMILES for 1-(3-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine is CCc1cccc(N/C(N)=N/CCCc2c[nH]c3ccccc23)c1.
What is the InChIKey of 1-(3-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine?
The InChIKey is HOMINILYVCFDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-2-15-7-5-9-17(13-15)24-20(21)22-12-6-8-16-14-23-19-11-4-3-10-18(16)19/h3-5,7,9-11,13-14,23H,2,6,8,12H2,1H3,(H3,21,22,24).
What are the key properties of 1-(3-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine?
1-(3-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine has a molecular weight of 320.44 g/mol, XLogP of 4.09, 6 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine is sourced from PubChem (CID 111806426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).