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

C19H22N4 — CID 111024605

IUPAC1-(3,4-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
SMILESCc1ccc(N/C(N)=N/CCc2c[nH]c3ccccc23)cc1C
InChIInChI=1S/C19H22N4/c1-13-7-8-16(11-14(13)2)23-19(20)21-10-9-15-12-22-18-6-4-3-5-17(15)18/h3-8,11-12,22H,9-10H2,1-2H3,(H3,20,21,23)
InChIKeyXZJVXQGKUGRWHT-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.75
Rot. Bonds4

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

1-(3,4-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine (PubChem CID 111024605) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
PubChem CID111024605
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name1-(3,4-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
SMILESCc1ccc(N/C(N)=N/CCc2c[nH]c3ccccc23)cc1C
InChIInChI=1S/C19H22N4/c1-13-7-8-16(11-14(13)2)23-19(20)21-10-9-15-12-22-18-6-4-3-5-17(15)18/h3-8,11-12,22H,9-10H2,1-2H3,(H3,20,21,23)
InChIKeyXZJVXQGKUGRWHT-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-(3,4-dimethylphenyl)-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111100822
1-(4-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 111024620
2-[3-(1H-indol-3-yl)propyl]-1-(4-methylphenyl)guanidine
CID 111806458
2-[2-(1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111024578
1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 2947810
1-(3-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111806426
1-(4-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine;hydroiodide
CID 111806445
2-[2-(1H-indol-3-yl)ethyl]-1-(2-methoxyphenyl)guanidine
CID 111024581
2-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(3-methylphenyl)guanidine
CID 111092490
1-(3,4-dimethoxyphenyl)-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111100846
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111024611
1-butyl-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111806494

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine (CID 111024605) is 1-(3,4-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine is Cc1ccc(N/C(N)=N/CCc2c[nH]c3ccccc23)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine?
The InChIKey is XZJVXQGKUGRWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-13-7-8-16(11-14(13)2)23-19(20)21-10-9-15-12-22-18-6-4-3-5-17(15)18/h3-8,11-12,22H,9-10H2,1-2H3,(H3,20,21,23).
What are the key properties of 1-(3,4-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine?
1-(3,4-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]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 1-(3,4-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine is sourced from PubChem (CID 111024605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).