(2R,3S)-3-ethyl-2-methyl-2,3-dihydro-1H-indole

C11H15N — CID 95970001

IUPAC(2R,3S)-3-ethyl-2-methyl-2,3-dihydro-1H-indole
SMILESCC[C@H]1c2ccccc2N[C@@H]1C
InChIInChI=1S/C11H15N/c1-3-9-8(2)12-11-7-5-4-6-10(9)11/h4-9,12H,3H2,1-2H3/t8-,9-/m1/s1
InChIKeyYQTHBLHVUIPAEY-RKDXNWHRSA-N
MW161.25 g/mol
LogP2.99
Rot. Bonds1

About (2R,3S)-3-ethyl-2-methyl-2,3-dihydro-1H-indole

(2R,3S)-3-ethyl-2-methyl-2,3-dihydro-1H-indole (PubChem CID 95970001) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (2R,3S)-3-ethyl-2-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name(2R,3S)-3-ethyl-2-methyl-2,3-dihydro-1H-indole
PubChem CID95970001
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(2R,3S)-3-ethyl-2-methyl-2,3-dihydro-1H-indole
SMILESCC[C@H]1c2ccccc2N[C@@H]1C
InChIInChI=1S/C11H15N/c1-3-9-8(2)12-11-7-5-4-6-10(9)11/h4-9,12H,3H2,1-2H3/t8-,9-/m1/s1
InChIKeyYQTHBLHVUIPAEY-RKDXNWHRSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2R,3S)-3-ethyl-2-methyl-2,3-dihydro-1H-indole with MolForge

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

Launch Full Analysis

Related Compounds

4-ethyl-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 142986299
3-ethyl-6-fluoro-2-methyl-2,3-dihydro-1H-indole
CID 83914941
6-chloro-3-ethyl-2-methyl-2,3-dihydro-1H-indole
CID 83915776
(2R,3R)-3-[(4-bromophenyl)methyl]-2-methyl-2,3-dihydro-1H-indole
CID 102138912
3-ethyl-2-methyl-2,3-dihydro-1H-indol-4-ol
CID 112716720
N-methyl-N-[(2-methyl-2,3-dihydro-1H-indol-3-yl)methyl]prop-2-enamide
CID 66781277
2-methyl-2,3-dihydro-1H-indole-3-carbaldehyde
CID 87384512
(1S,2S)-1-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 163236306
8-tetradecyl-7-azabicyclo[4.2.0]octa-1,3,5-triene
CID 21292499
(2S,4R)-4-ethoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 131014008
(E)-N-hydroxy-3-[4-[[2-(2-methyl-2,3-dihydro-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 87310494
(3aR,4S,9bR)-4-methyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline;molecular hydrogen;hydrate
CID 143129912

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-ethyl-2-methyl-2,3-dihydro-1H-indole?
The IUPAC name of (2R,3S)-3-ethyl-2-methyl-2,3-dihydro-1H-indole (CID 95970001) is (2R,3S)-3-ethyl-2-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for (2R,3S)-3-ethyl-2-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for (2R,3S)-3-ethyl-2-methyl-2,3-dihydro-1H-indole is CC[C@H]1c2ccccc2N[C@@H]1C.
What is the InChIKey of (2R,3S)-3-ethyl-2-methyl-2,3-dihydro-1H-indole?
The InChIKey is YQTHBLHVUIPAEY-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H15N/c1-3-9-8(2)12-11-7-5-4-6-10(9)11/h4-9,12H,3H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (2R,3S)-3-ethyl-2-methyl-2,3-dihydro-1H-indole?
(2R,3S)-3-ethyl-2-methyl-2,3-dihydro-1H-indole has a molecular weight of 161.25 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-ethyl-2-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 95970001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).