ethyl 2-(aminomethyl)-6-(3,5-dimethylnaphthalen-1-yl)-1-methylindole-3-carboxylate

C25H26N2O2 — CID 170074905

IUPACethyl 2-(aminomethyl)-6-(3,5-dimethylnaphthalen-1-yl)-1-methylindole-3-carboxylate
SMILESCCOC(=O)c1c(CN)n(C)c2cc(-c3cc(C)cc4c(C)cccc34)ccc12
InChIInChI=1S/C25H26N2O2/c1-5-29-25(28)24-19-10-9-17(13-22(19)27(4)23(24)14-26)21-12-15(2)11-20-16(3)7-6-8-18(20)21/h6-13H,5,14,26H2,1-4H3
InChIKeyANVCPQNZLPBBEY-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.25
Rot. Bonds4

About ethyl 2-(aminomethyl)-6-(3,5-dimethylnaphthalen-1-yl)-1-methylindole-3-carboxylate

ethyl 2-(aminomethyl)-6-(3,5-dimethylnaphthalen-1-yl)-1-methylindole-3-carboxylate (PubChem CID 170074905) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-6-(3,5-dimethylnaphthalen-1-yl)-1-methylindole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-6-(3,5-dimethylnaphthalen-1-yl)-1-methylindole-3-carboxylate
PubChem CID170074905
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Nameethyl 2-(aminomethyl)-6-(3,5-dimethylnaphthalen-1-yl)-1-methylindole-3-carboxylate
SMILESCCOC(=O)c1c(CN)n(C)c2cc(-c3cc(C)cc4c(C)cccc34)ccc12
InChIInChI=1S/C25H26N2O2/c1-5-29-25(28)24-19-10-9-17(13-22(19)27(4)23(24)14-26)21-12-15(2)11-20-16(3)7-6-8-18(20)21/h6-13H,5,14,26H2,1-4H3
InChIKeyANVCPQNZLPBBEY-UHFFFAOYSA-N
XLogP5.25
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(aminomethyl)-6-(8-chloronaphthalen-1-yl)-1-methylindole-3-carboxylate
CID 170075614
ethyl 2-[(aminomethylideneamino)methyl]-1-methyl-6-(5-methylnaphthalen-1-yl)indole-3-carboxylate
CID 170077280
ethyl 2-(aminomethyl)-6-(cyclohexen-1-yl)-1-methylindole-3-carboxylate
CID 163883095
ethyl 2-[(aminomethylideneamino)methyl]-6-(3-fluoronaphthalen-1-yl)-1-methylindole-3-carboxylate
CID 170077353
ethyl 2-(bromomethyl)-1-methyl-6-naphthalen-2-ylindole-3-carboxylate
CID 177268383
ethyl 2-[(aminomethylideneamino)methyl]-6-isoquinolin-8-yl-1-methylindole-3-carboxylate
CID 170077241
ethyl 2-(aminomethyl)-6-(cyclopenten-1-yl)-1-methyl-5-naphthalen-1-ylindole-3-carboxylate
CID 170076574
ethyl 2,6-dimethylbenzoate
CID 520807
ethyl 6-(cyclohexen-1-yl)-2-[(diaminomethylideneamino)methyl]-1-methylindole-3-carboxylate
CID 163985158
ethyl 1-methyl-2-(methylaminomethyl)-5-phenylindole-3-carboxylate
CID 170077347
ethyl 2-methyl-6-phenylbenzoate
CID 86249615
ethyl 6-bromo-1-methyl-2-(methylaminomethyl)-5-naphthalen-1-ylindole-3-carboxylate
CID 170078093

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-6-(3,5-dimethylnaphthalen-1-yl)-1-methylindole-3-carboxylate?
The IUPAC name of ethyl 2-(aminomethyl)-6-(3,5-dimethylnaphthalen-1-yl)-1-methylindole-3-carboxylate (CID 170074905) is ethyl 2-(aminomethyl)-6-(3,5-dimethylnaphthalen-1-yl)-1-methylindole-3-carboxylate.
What is the SMILES notation for ethyl 2-(aminomethyl)-6-(3,5-dimethylnaphthalen-1-yl)-1-methylindole-3-carboxylate?
The canonical SMILES for ethyl 2-(aminomethyl)-6-(3,5-dimethylnaphthalen-1-yl)-1-methylindole-3-carboxylate is CCOC(=O)c1c(CN)n(C)c2cc(-c3cc(C)cc4c(C)cccc34)ccc12.
What is the InChIKey of ethyl 2-(aminomethyl)-6-(3,5-dimethylnaphthalen-1-yl)-1-methylindole-3-carboxylate?
The InChIKey is ANVCPQNZLPBBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-5-29-25(28)24-19-10-9-17(13-22(19)27(4)23(24)14-26)21-12-15(2)11-20-16(3)7-6-8-18(20)21/h6-13H,5,14,26H2,1-4H3.
What are the key properties of ethyl 2-(aminomethyl)-6-(3,5-dimethylnaphthalen-1-yl)-1-methylindole-3-carboxylate?
ethyl 2-(aminomethyl)-6-(3,5-dimethylnaphthalen-1-yl)-1-methylindole-3-carboxylate has a molecular weight of 386.50 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(aminomethyl)-6-(3,5-dimethylnaphthalen-1-yl)-1-methylindole-3-carboxylate is sourced from PubChem (CID 170074905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).