methyl 2-(aminomethyl)-1-methylindole-6-carboxylate

C12H14N2O2 — CID 84786095

IUPACmethyl 2-(aminomethyl)-1-methylindole-6-carboxylate
SMILESCOC(=O)c1ccc2cc(CN)n(C)c2c1
InChIInChI=1S/C12H14N2O2/c1-14-10(7-13)5-8-3-4-9(6-11(8)14)12(15)16-2/h3-6H,7,13H2,1-2H3
InChIKeyFJUPBFBWNYPQDO-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.42
Rot. Bonds2

About methyl 2-(aminomethyl)-1-methylindole-6-carboxylate

methyl 2-(aminomethyl)-1-methylindole-6-carboxylate (PubChem CID 84786095) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is methyl 2-(aminomethyl)-1-methylindole-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)-1-methylindole-6-carboxylate
PubChem CID84786095
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Namemethyl 2-(aminomethyl)-1-methylindole-6-carboxylate
SMILESCOC(=O)c1ccc2cc(CN)n(C)c2c1
InChIInChI=1S/C12H14N2O2/c1-14-10(7-13)5-8-3-4-9(6-11(8)14)12(15)16-2/h3-6H,7,13H2,1-2H3
InChIKeyFJUPBFBWNYPQDO-UHFFFAOYSA-N
XLogP1.42
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-bromo-1-methylindole-6-carboxylate
CID 131471893
2-(aminomethyl)-1-methylindole-5-carboxylic acid
CID 83832423
methyl 2-[(4-hydroxyphenyl)methyl]-1-methylindole-5-carboxylate
CID 130432936
methyl 1-ethylindole-6-carboxylate
CID 22467242
methyl 5-(aminomethyl)-1-methylpyrrole-2-carboxylate
CID 58009672
methyl 1-benzyl-2-(2-hydroxyethyl)indole-6-carboxylate
CID 90133591
ethyl 1-methyl-2-oxoquinoline-7-carboxylate
CID 121231685
methyl 1,2-di(propan-2-yl)indole-6-carboxylate
CID 164731183
methyl 1-(5-amino-1-methyl-6-oxo-3-pyridinyl)indole-6-carboxylate
CID 175301452
methyl 3-(aminomethyl)-4-hydroxybenzoate;hydrochloride
CID 46786076
2-(ethylsulfonylmethyl)-1-methylindole-6-carboxylic acid
CID 117180395
methyl 4-(aminomethyl)-3-bromobenzoate
CID 53419661

Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)-1-methylindole-6-carboxylate?
The IUPAC name of methyl 2-(aminomethyl)-1-methylindole-6-carboxylate (CID 84786095) is methyl 2-(aminomethyl)-1-methylindole-6-carboxylate.
What is the SMILES notation for methyl 2-(aminomethyl)-1-methylindole-6-carboxylate?
The canonical SMILES for methyl 2-(aminomethyl)-1-methylindole-6-carboxylate is COC(=O)c1ccc2cc(CN)n(C)c2c1.
What is the InChIKey of methyl 2-(aminomethyl)-1-methylindole-6-carboxylate?
The InChIKey is FJUPBFBWNYPQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-14-10(7-13)5-8-3-4-9(6-11(8)14)12(15)16-2/h3-6H,7,13H2,1-2H3.
What are the key properties of methyl 2-(aminomethyl)-1-methylindole-6-carboxylate?
methyl 2-(aminomethyl)-1-methylindole-6-carboxylate has a molecular weight of 218.26 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(aminomethyl)-1-methylindole-6-carboxylate is sourced from PubChem (CID 84786095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).