tert-butyl 2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]acetate

C16H24N2O2 — CID 81462941

IUPACtert-butyl 2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]acetate
SMILESCN1CCc2cc(CNCC(=O)OC(C)(C)C)ccc21
InChIInChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)11-17-10-12-5-6-14-13(9-12)7-8-18(14)4/h5-6,9,17H,7-8,10-11H2,1-4H3
InChIKeyQUWSMQJBXGYFPJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.11
Rot. Bonds4

About tert-butyl 2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]acetate

tert-butyl 2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]acetate (PubChem CID 81462941) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is tert-butyl 2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]acetate
PubChem CID81462941
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nametert-butyl 2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]acetate
SMILESCN1CCc2cc(CNCC(=O)OC(C)(C)C)ccc21
InChIInChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)11-17-10-12-5-6-14-13(9-12)7-8-18(14)4/h5-6,9,17H,7-8,10-11H2,1-4H3
InChIKeyQUWSMQJBXGYFPJ-UHFFFAOYSA-N
XLogP2.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine
CID 115756694
2,2-dimethyl-3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol
CID 115359011
tert-butyl 2-[(3-chloro-4-methylphenyl)methylamino]acetate
CID 106817005
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 62095155
4-methoxy-2,2-dimethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine
CID 104625143
1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(3-methylphenyl)methyl]methanamine
CID 62094945
ethyl N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]carbamate
CID 110479362
acetaldehyde;ethane;methyl 2-(1-methyl-2,3-dihydroindol-5-yl)acetate
CID 142945145
N-methoxy-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
CID 82706033
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine
CID 62070317
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine
CID 62096654
tert-butyl 2-[(3-bromo-4-fluorophenyl)methylamino]acetate
CID 78994243

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]acetate?
The IUPAC name of tert-butyl 2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]acetate (CID 81462941) is tert-butyl 2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]acetate.
What is the SMILES notation for tert-butyl 2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]acetate?
The canonical SMILES for tert-butyl 2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]acetate is CN1CCc2cc(CNCC(=O)OC(C)(C)C)ccc21.
What is the InChIKey of tert-butyl 2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]acetate?
The InChIKey is QUWSMQJBXGYFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)11-17-10-12-5-6-14-13(9-12)7-8-18(14)4/h5-6,9,17H,7-8,10-11H2,1-4H3.
What are the key properties of tert-butyl 2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]acetate?
tert-butyl 2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]acetate has a molecular weight of 276.38 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]acetate is sourced from PubChem (CID 81462941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).