[3-(2-aminoethyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate

C14H21N3O2 — CID 71450003

IUPAC[3-(2-aminoethyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)Oc1cccc2c1C(CCN)CN2
InChIInChI=1S/C14H21N3O2/c1-3-17(2)14(18)19-12-6-4-5-11-13(12)10(7-8-15)9-16-11/h4-6,10,16H,3,7-9,15H2,1-2H3
InChIKeyQZJFTHFKKFXEKX-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.00
Rot. Bonds4

About [3-(2-aminoethyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate

[3-(2-aminoethyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate (PubChem CID 71450003) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is [3-(2-aminoethyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name[3-(2-aminoethyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate
PubChem CID71450003
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name[3-(2-aminoethyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)Oc1cccc2c1C(CCN)CN2
InChIInChI=1S/C14H21N3O2/c1-3-17(2)14(18)19-12-6-4-5-11-13(12)10(7-8-15)9-16-11/h4-6,10,16H,3,7-9,15H2,1-2H3
InChIKeyQZJFTHFKKFXEKX-UHFFFAOYSA-N
XLogP2.00
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate?
The IUPAC name of [3-(2-aminoethyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate (CID 71450003) is [3-(2-aminoethyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate.
What is the SMILES notation for [3-(2-aminoethyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate?
The canonical SMILES for [3-(2-aminoethyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate is CCN(C)C(=O)Oc1cccc2c1C(CCN)CN2.
What is the InChIKey of [3-(2-aminoethyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate?
The InChIKey is QZJFTHFKKFXEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-17(2)14(18)19-12-6-4-5-11-13(12)10(7-8-15)9-16-11/h4-6,10,16H,3,7-9,15H2,1-2H3.
What are the key properties of [3-(2-aminoethyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate?
[3-(2-aminoethyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate has a molecular weight of 263.34 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate is sourced from PubChem (CID 71450003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).