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

C21H26N4 — CID 110949844

IUPAC2-methyl-1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-(1-phenylethyl)guanidine
SMILESC/N=C(/NCCc1c[nH]c2cccc(C)c12)NC(C)c1ccccc1
InChIInChI=1S/C21H26N4/c1-15-8-7-11-19-20(15)18(14-24-19)12-13-23-21(22-3)25-16(2)17-9-5-4-6-10-17/h4-11,14,16,24H,12-13H2,1-3H3,(H2,22,23,25)
InChIKeyUDWNLZCHCSHMHY-UHFFFAOYSA-N
MW334.47 g/mol
LogP3.95
Rot. Bonds5

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

2-methyl-1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-(1-phenylethyl)guanidine (PubChem CID 110949844) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is 2-methyl-1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-(1-phenylethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-(1-phenylethyl)guanidine
PubChem CID110949844
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name2-methyl-1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-(1-phenylethyl)guanidine
SMILESC/N=C(/NCCc1c[nH]c2cccc(C)c12)NC(C)c1ccccc1
InChIInChI=1S/C21H26N4/c1-15-8-7-11-19-20(15)18(14-24-19)12-13-23-21(22-3)25-16(2)17-9-5-4-6-10-17/h4-11,14,16,24H,12-13H2,1-3H3,(H2,22,23,25)
InChIKeyUDWNLZCHCSHMHY-UHFFFAOYSA-N
XLogP3.95
TPSA52.21 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.95
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-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948771
2-methyl-1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-pentylguanidine;hydroiodide
CID 111129462
1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 95308041
1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 95308042
1-[(4-fluorophenyl)methyl]-2-methyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111233507
1-(2-methoxy-2-methylpropyl)-2-methyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111607766
1-ethyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111178735
2-methyl-1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111260288
1-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-2-methyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111559026
1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111312752
tert-butyl N-[3-[[N'-methyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]carbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111887478
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine
CID 109430745

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-(1-phenylethyl)guanidine?
The IUPAC name of 2-methyl-1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-(1-phenylethyl)guanidine (CID 110949844) is 2-methyl-1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-(1-phenylethyl)guanidine.
What is the SMILES notation for 2-methyl-1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-(1-phenylethyl)guanidine?
The canonical SMILES for 2-methyl-1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-(1-phenylethyl)guanidine is C/N=C(/NCCc1c[nH]c2cccc(C)c12)NC(C)c1ccccc1.
What is the InChIKey of 2-methyl-1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-(1-phenylethyl)guanidine?
The InChIKey is UDWNLZCHCSHMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4/c1-15-8-7-11-19-20(15)18(14-24-19)12-13-23-21(22-3)25-16(2)17-9-5-4-6-10-17/h4-11,14,16,24H,12-13H2,1-3H3,(H2,22,23,25).
What are the key properties of 2-methyl-1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-(1-phenylethyl)guanidine?
2-methyl-1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-(1-phenylethyl)guanidine has a molecular weight of 334.47 g/mol, XLogP of 3.95, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-(1-phenylethyl)guanidine is sourced from PubChem (CID 110949844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).