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

C14H23Cl2N3O2 — CID 71535147

IUPAC[3-(2-aminoethyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;dihydrochloride
SMILESCCN(C)C(=O)Oc1cccc2c1C(CCN)CN2.Cl.Cl
InChIInChI=1S/C14H21N3O2.2ClH/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;2*1H
InChIKeyHXCNBQIDVPCYMI-UHFFFAOYSA-N
MW336.26 g/mol
LogP2.84
Rot. Bonds4

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

[3-(2-aminoethyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;dihydrochloride (PubChem CID 71535147) has the molecular formula C14H23Cl2N3O2 and a molecular weight of 336.26 g/mol. Its IUPAC name is [3-(2-aminoethyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;dihydrochloride.

Molecular Properties

Compound Name[3-(2-aminoethyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;dihydrochloride
PubChem CID71535147
Molecular FormulaC14H23Cl2N3O2
Molecular Weight336.26 g/mol
Exact Mass335.12
IUPAC Name[3-(2-aminoethyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;dihydrochloride
SMILESCCN(C)C(=O)Oc1cccc2c1C(CCN)CN2.Cl.Cl
InChIInChI=1S/C14H21N3O2.2ClH/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;2*1H
InChIKeyHXCNBQIDVPCYMI-UHFFFAOYSA-N
XLogP2.84
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-(2-aminoethyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;dihydrochloride?
The IUPAC name of [3-(2-aminoethyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;dihydrochloride (CID 71535147) is [3-(2-aminoethyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;dihydrochloride.
What is the SMILES notation for [3-(2-aminoethyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;dihydrochloride?
The canonical SMILES for [3-(2-aminoethyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;dihydrochloride is CCN(C)C(=O)Oc1cccc2c1C(CCN)CN2.Cl.Cl.
What is the InChIKey of [3-(2-aminoethyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;dihydrochloride?
The InChIKey is HXCNBQIDVPCYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.2ClH/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;2*1H.
What are the key properties of [3-(2-aminoethyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;dihydrochloride?
[3-(2-aminoethyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;dihydrochloride has a molecular weight of 336.26 g/mol, XLogP of 2.84, 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;dihydrochloride is sourced from PubChem (CID 71535147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).