methyl 2-(1H-indol-7-ylmethylamino)benzoate

C17H16N2O2 — CID 102909440

IUPACmethyl 2-(1H-indol-7-ylmethylamino)benzoate
SMILESCOC(=O)c1ccccc1NCc1cccc2cc[nH]c12
InChIInChI=1S/C17H16N2O2/c1-21-17(20)14-7-2-3-8-15(14)19-11-13-6-4-5-12-9-10-18-16(12)13/h2-10,18-19H,11H2,1H3
InChIKeyLLJDOQNTVTXBNT-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.57
Rot. Bonds4

About methyl 2-(1H-indol-7-ylmethylamino)benzoate

methyl 2-(1H-indol-7-ylmethylamino)benzoate (PubChem CID 102909440) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is methyl 2-(1H-indol-7-ylmethylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-(1H-indol-7-ylmethylamino)benzoate
PubChem CID102909440
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Namemethyl 2-(1H-indol-7-ylmethylamino)benzoate
SMILESCOC(=O)c1ccccc1NCc1cccc2cc[nH]c12
InChIInChI=1S/C17H16N2O2/c1-21-17(20)14-7-2-3-8-15(14)19-11-13-6-4-5-12-9-10-18-16(12)13/h2-10,18-19H,11H2,1H3
InChIKeyLLJDOQNTVTXBNT-UHFFFAOYSA-N
XLogP3.57
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1H-indole-7-carboxylate;hydrochloride
CID 175318571
methyl 2-[(2-chlorophenyl)methylamino]benzoate
CID 43087858
2-bromo-N-(1H-indol-7-ylmethyl)-3-methylaniline
CID 102911661
methyl 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]benzoate
CID 51047353
2-ethoxy-N-(1H-indol-7-ylmethyl)pyridin-3-amine
CID 103823702
methyl 3-[(2-methoxycarbonylanilino)methyl]furan-2-carboxylate
CID 43774551
methyl 2-[(5-chloro-2-fluorophenyl)methylamino]benzoate
CID 114841534
methyl 2-(1-benzofuran-3-ylmethylamino)benzoate
CID 80701199
2-(1H-indol-7-ylmethylamino)-N-methylacetamide
CID 103640761
N-(1H-indol-7-ylmethyl)-4-iodo-2-methylaniline
CID 102909688
methyl 7-fluoro-1H-indole-6-carboxylate
CID 122705880
ethyl 2-[(2-methylphenyl)methylamino]benzoate
CID 43217386

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1H-indol-7-ylmethylamino)benzoate?
The IUPAC name of methyl 2-(1H-indol-7-ylmethylamino)benzoate (CID 102909440) is methyl 2-(1H-indol-7-ylmethylamino)benzoate.
What is the SMILES notation for methyl 2-(1H-indol-7-ylmethylamino)benzoate?
The canonical SMILES for methyl 2-(1H-indol-7-ylmethylamino)benzoate is COC(=O)c1ccccc1NCc1cccc2cc[nH]c12.
What is the InChIKey of methyl 2-(1H-indol-7-ylmethylamino)benzoate?
The InChIKey is LLJDOQNTVTXBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-21-17(20)14-7-2-3-8-15(14)19-11-13-6-4-5-12-9-10-18-16(12)13/h2-10,18-19H,11H2,1H3.
What are the key properties of methyl 2-(1H-indol-7-ylmethylamino)benzoate?
methyl 2-(1H-indol-7-ylmethylamino)benzoate has a molecular weight of 280.33 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1H-indol-7-ylmethylamino)benzoate is sourced from PubChem (CID 102909440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).