2-[3-(1H-indol-3-yl)propyl]-1-(4-methylphenyl)guanidine

C19H22N4 — CID 111806458

IUPAC2-[3-(1H-indol-3-yl)propyl]-1-(4-methylphenyl)guanidine
SMILESCc1ccc(N/C(N)=N/CCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H22N4/c1-14-8-10-16(11-9-14)23-19(20)21-12-4-5-15-13-22-18-7-3-2-6-17(15)18/h2-3,6-11,13,22H,4-5,12H2,1H3,(H3,20,21,23)
InChIKeyFXYHAKMIOQDGTH-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.84
Rot. Bonds5

About 2-[3-(1H-indol-3-yl)propyl]-1-(4-methylphenyl)guanidine

2-[3-(1H-indol-3-yl)propyl]-1-(4-methylphenyl)guanidine (PubChem CID 111806458) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[3-(1H-indol-3-yl)propyl]-1-(4-methylphenyl)guanidine.

Molecular Properties

Compound Name2-[3-(1H-indol-3-yl)propyl]-1-(4-methylphenyl)guanidine
PubChem CID111806458
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name2-[3-(1H-indol-3-yl)propyl]-1-(4-methylphenyl)guanidine
SMILESCc1ccc(N/C(N)=N/CCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H22N4/c1-14-8-10-16(11-9-14)23-19(20)21-12-4-5-15-13-22-18-7-3-2-6-17(15)18/h2-3,6-11,13,22H,4-5,12H2,1H3,(H3,20,21,23)
InChIKeyFXYHAKMIOQDGTH-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
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
1-(3,4-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 111024605
1-(4-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 111024620
1-(3-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111806426
1-butyl-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111806494
2-[3-(1H-indol-3-yl)propyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 111108916
1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 2947810
2-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(3-methylphenyl)guanidine
CID 111092490
2-[4-(1H-indol-3-yl)butyl]-1-[4-(1H-indol-3-yl)butylideneamino]guanidine
CID 69151289
1-cyclohexyl-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111806478
2-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111095491
2-[2-(1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111024578

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-indol-3-yl)propyl]-1-(4-methylphenyl)guanidine?
The IUPAC name of 2-[3-(1H-indol-3-yl)propyl]-1-(4-methylphenyl)guanidine (CID 111806458) is 2-[3-(1H-indol-3-yl)propyl]-1-(4-methylphenyl)guanidine.
What is the SMILES notation for 2-[3-(1H-indol-3-yl)propyl]-1-(4-methylphenyl)guanidine?
The canonical SMILES for 2-[3-(1H-indol-3-yl)propyl]-1-(4-methylphenyl)guanidine is Cc1ccc(N/C(N)=N/CCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 2-[3-(1H-indol-3-yl)propyl]-1-(4-methylphenyl)guanidine?
The InChIKey is FXYHAKMIOQDGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-14-8-10-16(11-9-14)23-19(20)21-12-4-5-15-13-22-18-7-3-2-6-17(15)18/h2-3,6-11,13,22H,4-5,12H2,1H3,(H3,20,21,23).
What are the key properties of 2-[3-(1H-indol-3-yl)propyl]-1-(4-methylphenyl)guanidine?
2-[3-(1H-indol-3-yl)propyl]-1-(4-methylphenyl)guanidine has a molecular weight of 306.41 g/mol, XLogP of 3.84, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-indol-3-yl)propyl]-1-(4-methylphenyl)guanidine is sourced from PubChem (CID 111806458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).