2-[1-(2-methylprop-2-enyl)-2,3-dihydroindol-3-yl]ethanamine

C14H20N2 — CID 63235614

IUPAC2-[1-(2-methylprop-2-enyl)-2,3-dihydroindol-3-yl]ethanamine
SMILESC=C(C)CN1CC(CCN)c2ccccc21
InChIInChI=1S/C14H20N2/c1-11(2)9-16-10-12(7-8-15)13-5-3-4-6-14(13)16/h3-6,12H,1,7-10,15H2,2H3
InChIKeySILOESYATGYBAP-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.52
Rot. Bonds4

About 2-[1-(2-methylprop-2-enyl)-2,3-dihydroindol-3-yl]ethanamine

2-[1-(2-methylprop-2-enyl)-2,3-dihydroindol-3-yl]ethanamine (PubChem CID 63235614) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-[1-(2-methylprop-2-enyl)-2,3-dihydroindol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-methylprop-2-enyl)-2,3-dihydroindol-3-yl]ethanamine
PubChem CID63235614
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-[1-(2-methylprop-2-enyl)-2,3-dihydroindol-3-yl]ethanamine
SMILESC=C(C)CN1CC(CCN)c2ccccc21
InChIInChI=1S/C14H20N2/c1-11(2)9-16-10-12(7-8-15)13-5-3-4-6-14(13)16/h3-6,12H,1,7-10,15H2,2H3
InChIKeySILOESYATGYBAP-UHFFFAOYSA-N
XLogP2.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[1-(2-methylprop-2-enyl)-2,3-dihydroindol-3-yl]ethanamine 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 2-[1-(2-methylprop-2-enyl)-2,3-dihydroindol-3-yl]ethanamine?
The IUPAC name of 2-[1-(2-methylprop-2-enyl)-2,3-dihydroindol-3-yl]ethanamine (CID 63235614) is 2-[1-(2-methylprop-2-enyl)-2,3-dihydroindol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-methylprop-2-enyl)-2,3-dihydroindol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(2-methylprop-2-enyl)-2,3-dihydroindol-3-yl]ethanamine is C=C(C)CN1CC(CCN)c2ccccc21.
What is the InChIKey of 2-[1-(2-methylprop-2-enyl)-2,3-dihydroindol-3-yl]ethanamine?
The InChIKey is SILOESYATGYBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-11(2)9-16-10-12(7-8-15)13-5-3-4-6-14(13)16/h3-6,12H,1,7-10,15H2,2H3.
What are the key properties of 2-[1-(2-methylprop-2-enyl)-2,3-dihydroindol-3-yl]ethanamine?
2-[1-(2-methylprop-2-enyl)-2,3-dihydroindol-3-yl]ethanamine has a molecular weight of 216.33 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylprop-2-enyl)-2,3-dihydroindol-3-yl]ethanamine is sourced from PubChem (CID 63235614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).