1-benzyl-2-ethyl-5-methoxyindol-3-amine

C18H20N2O — CID 58986334

IUPAC1-benzyl-2-ethyl-5-methoxyindol-3-amine
SMILESCCc1c(N)c2cc(OC)ccc2n1Cc1ccccc1
InChIInChI=1S/C18H20N2O/c1-3-16-18(19)15-11-14(21-2)9-10-17(15)20(16)12-13-7-5-4-6-8-13/h4-11H,3,12,19H2,1-2H3
InChIKeyWFUASYYJKMMITK-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.84
Rot. Bonds4

About 1-benzyl-2-ethyl-5-methoxyindol-3-amine

1-benzyl-2-ethyl-5-methoxyindol-3-amine (PubChem CID 58986334) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-benzyl-2-ethyl-5-methoxyindol-3-amine.

Molecular Properties

Compound Name1-benzyl-2-ethyl-5-methoxyindol-3-amine
PubChem CID58986334
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-benzyl-2-ethyl-5-methoxyindol-3-amine
SMILESCCc1c(N)c2cc(OC)ccc2n1Cc1ccccc1
InChIInChI=1S/C18H20N2O/c1-3-16-18(19)15-11-14(21-2)9-10-17(15)20(16)12-13-7-5-4-6-8-13/h4-11H,3,12,19H2,1-2H3
InChIKeyWFUASYYJKMMITK-UHFFFAOYSA-N
XLogP3.84
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-2-ethyl-5-methoxyindol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-benzyl-5-methoxy-2-propylindol-3-yl)acetamide
CID 10688272
2-(1-benzyl-5-methoxy-2-propylindol-3-yl)acetic acid
CID 21191884
2-(9-benzyl-4-ethyl-6-methoxy-1-methylsulfanylcarbazol-2-yl)acetic acid
CID 67696118
6-benzyl-9-methoxyindolo[3,2-b]quinoxaline
CID 828074
10-benzyl-3-methoxyacridin-9-one
CID 12751573
2-[[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethylindol-5-yl]oxymethyl]benzoic acid
CID 10623063
1-[(3-chlorophenyl)methyl]-3,6-dimethoxy-4-phenylquinolin-2-one
CID 142438199
9-benzyl-6-methoxy-3-methylpyrimido[4,5-b]indol-4-one
CID 23857129
2-[1-benzyl-5-methoxy-2-(4-methoxyphenyl)indol-3-yl]acetic acid
CID 67748943
6-methoxy-9-[(3-methoxyphenyl)methyl]pyrido[3,4-b]indole
CID 134505246
2-(1-benzyl-5-cyclopentyloxy-2-ethylindol-3-yl)acetohydrazide
CID 15837958
1-[1-benzyl-5-methoxy-2-(trifluoromethyl)indol-3-yl]-2,2,2-trifluoroethanone
CID 162714678

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-ethyl-5-methoxyindol-3-amine?
The IUPAC name of 1-benzyl-2-ethyl-5-methoxyindol-3-amine (CID 58986334) is 1-benzyl-2-ethyl-5-methoxyindol-3-amine.
What is the SMILES notation for 1-benzyl-2-ethyl-5-methoxyindol-3-amine?
The canonical SMILES for 1-benzyl-2-ethyl-5-methoxyindol-3-amine is CCc1c(N)c2cc(OC)ccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-ethyl-5-methoxyindol-3-amine?
The InChIKey is WFUASYYJKMMITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-3-16-18(19)15-11-14(21-2)9-10-17(15)20(16)12-13-7-5-4-6-8-13/h4-11H,3,12,19H2,1-2H3.
What are the key properties of 1-benzyl-2-ethyl-5-methoxyindol-3-amine?
1-benzyl-2-ethyl-5-methoxyindol-3-amine has a molecular weight of 280.37 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-ethyl-5-methoxyindol-3-amine is sourced from PubChem (CID 58986334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).