1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methylguanidine

C13H18N4O — CID 142888234

IUPAC1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methylguanidine
SMILESC/N=C(\N)NCCc1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C13H18N4O/c1-15-13(14)16-6-5-9-8-17-12-4-3-10(18-2)7-11(9)12/h3-4,7-8,17H,5-6H2,1-2H3,(H3,14,15,16)
InChIKeyKYWSXOVOASRFQM-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.25
Rot. Bonds4

About 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methylguanidine

1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methylguanidine (PubChem CID 142888234) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methylguanidine
PubChem CID142888234
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methylguanidine
SMILESC/N=C(\N)NCCc1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C13H18N4O/c1-15-13(14)16-6-5-9-8-17-12-4-3-10(18-2)7-11(9)12/h3-4,7-8,17H,5-6H2,1-2H3,(H3,14,15,16)
InChIKeyKYWSXOVOASRFQM-UHFFFAOYSA-N
XLogP1.25
TPSA75.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-methylguanidine
CID 86812869
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
CID 2988177
ethyl 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-3-oxopropanoate
CID 18794243
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
CID 26652
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methylsulfonylpropanamide
CID 131951038
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)thiourea
CID 2972714
(2R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
CID 7068767
[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl] acetate
CID 51852107
[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 2987344
3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 69014970
1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 18947306

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methylguanidine?
The IUPAC name of 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methylguanidine (CID 142888234) is 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methylguanidine.
What is the SMILES notation for 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methylguanidine?
The canonical SMILES for 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methylguanidine is C/N=C(\N)NCCc1c[nH]c2ccc(OC)cc12.
What is the InChIKey of 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methylguanidine?
The InChIKey is KYWSXOVOASRFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-15-13(14)16-6-5-9-8-17-12-4-3-10(18-2)7-11(9)12/h3-4,7-8,17H,5-6H2,1-2H3,(H3,14,15,16).
What are the key properties of 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methylguanidine?
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methylguanidine has a molecular weight of 246.31 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methylguanidine is sourced from PubChem (CID 142888234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).