2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine

C24H33N5O — CID 110995201

IUPAC2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine
SMILESCCN/C(=N\Cc1cccc(OCCN(C)C)c1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C24H33N5O/c1-4-25-24(26-13-12-20-18-27-23-11-6-5-10-22(20)23)28-17-19-8-7-9-21(16-19)30-15-14-29(2)3/h5-11,16,18,27H,4,12-15,17H2,1-3H3,(H2,25,26,28)
InChIKeyVFRCHFOGFAICNH-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.41
Rot. Bonds10

About 2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine

2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine (PubChem CID 110995201) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is 2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine
PubChem CID110995201
Molecular FormulaC24H33N5O
Molecular Weight407.56 g/mol
Exact Mass407.27
IUPAC Name2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine
SMILESCCN/C(=N\Cc1cccc(OCCN(C)C)c1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C24H33N5O/c1-4-25-24(26-13-12-20-18-27-23-11-6-5-10-22(20)23)28-17-19-8-7-9-21(16-19)30-15-14-29(2)3/h5-11,16,18,27H,4,12-15,17H2,1-3H3,(H2,25,26,28)
InChIKeyVFRCHFOGFAICNH-UHFFFAOYSA-N
XLogP3.41
TPSA64.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-ethyl-3-[3-(1H-indol-3-yl)propyl]-2-[(3-methoxyphenyl)methyl]guanidine
CID 111753307
1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111974144
2-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111826716
2-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111972645
2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-[(3-methoxyphenyl)methyl]guanidine
CID 111249359
2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(4-ethoxybutyl)-3-ethylguanidine
CID 111946139
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[[4-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 110995466
2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-[(2-fluorophenyl)methyl]guanidine
CID 111264791
2-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine
CID 111791088
2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-[3-(2-methylpropoxy)propyl]guanidine
CID 111402469
2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111906776
N,N-diethyl-4-[[[ethylamino-[2-(1H-indol-3-yl)ethylamino]methylidene]amino]methyl]benzamide
CID 110995213

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine?
The IUPAC name of 2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine (CID 110995201) is 2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine.
What is the SMILES notation for 2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine?
The canonical SMILES for 2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine is CCN/C(=N\Cc1cccc(OCCN(C)C)c1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine?
The InChIKey is VFRCHFOGFAICNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O/c1-4-25-24(26-13-12-20-18-27-23-11-6-5-10-22(20)23)28-17-19-8-7-9-21(16-19)30-15-14-29(2)3/h5-11,16,18,27H,4,12-15,17H2,1-3H3,(H2,25,26,28).
What are the key properties of 2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine?
2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine has a molecular weight of 407.56 g/mol, XLogP of 3.41, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine is sourced from PubChem (CID 110995201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).