2-ethyl-5,6-dimethyl-2,3-dihydro-1H-indole

C12H17N — CID 148876234

IUPAC2-ethyl-5,6-dimethyl-2,3-dihydro-1H-indole
SMILESCCC1Cc2cc(C)c(C)cc2N1
InChIInChI=1S/C12H17N/c1-4-11-7-10-5-8(2)9(3)6-12(10)13-11/h5-6,11,13H,4,7H2,1-3H3
InChIKeyPCDPQVMHLVRHAB-UHFFFAOYSA-N
MW175.27 g/mol
LogP3.05
Rot. Bonds1

About 2-ethyl-5,6-dimethyl-2,3-dihydro-1H-indole

2-ethyl-5,6-dimethyl-2,3-dihydro-1H-indole (PubChem CID 148876234) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-ethyl-5,6-dimethyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-ethyl-5,6-dimethyl-2,3-dihydro-1H-indole
PubChem CID148876234
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name2-ethyl-5,6-dimethyl-2,3-dihydro-1H-indole
SMILESCCC1Cc2cc(C)c(C)cc2N1
InChIInChI=1S/C12H17N/c1-4-11-7-10-5-8(2)9(3)6-12(10)13-11/h5-6,11,13H,4,7H2,1-3H3
InChIKeyPCDPQVMHLVRHAB-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,6-dimethyl-2,3-dihydro-1H-indole?
The IUPAC name of 2-ethyl-5,6-dimethyl-2,3-dihydro-1H-indole (CID 148876234) is 2-ethyl-5,6-dimethyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-ethyl-5,6-dimethyl-2,3-dihydro-1H-indole?
The canonical SMILES for 2-ethyl-5,6-dimethyl-2,3-dihydro-1H-indole is CCC1Cc2cc(C)c(C)cc2N1.
What is the InChIKey of 2-ethyl-5,6-dimethyl-2,3-dihydro-1H-indole?
The InChIKey is PCDPQVMHLVRHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-4-11-7-10-5-8(2)9(3)6-12(10)13-11/h5-6,11,13H,4,7H2,1-3H3.
What are the key properties of 2-ethyl-5,6-dimethyl-2,3-dihydro-1H-indole?
2-ethyl-5,6-dimethyl-2,3-dihydro-1H-indole has a molecular weight of 175.27 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,6-dimethyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 148876234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).