6-chloro-3-ethyl-2-methyl-2,3-dihydro-1H-indole

C11H14ClN — CID 83915776

IUPAC6-chloro-3-ethyl-2-methyl-2,3-dihydro-1H-indole
SMILESCCC1c2ccc(Cl)cc2NC1C
InChIInChI=1S/C11H14ClN/c1-3-9-7(2)13-11-6-8(12)4-5-10(9)11/h4-7,9,13H,3H2,1-2H3
InChIKeyOAPRECQDHZQRIO-UHFFFAOYSA-N
MW195.69 g/mol
LogP3.65
Rot. Bonds1

About 6-chloro-3-ethyl-2-methyl-2,3-dihydro-1H-indole

6-chloro-3-ethyl-2-methyl-2,3-dihydro-1H-indole (PubChem CID 83915776) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 6-chloro-3-ethyl-2-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name6-chloro-3-ethyl-2-methyl-2,3-dihydro-1H-indole
PubChem CID83915776
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name6-chloro-3-ethyl-2-methyl-2,3-dihydro-1H-indole
SMILESCCC1c2ccc(Cl)cc2NC1C
InChIInChI=1S/C11H14ClN/c1-3-9-7(2)13-11-6-8(12)4-5-10(9)11/h4-7,9,13H,3H2,1-2H3
InChIKeyOAPRECQDHZQRIO-UHFFFAOYSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-6-fluoro-2-methyl-2,3-dihydro-1H-indole
CID 83914941
(2R,3S)-3-ethyl-2-methyl-2,3-dihydro-1H-indole
CID 95970001
(2R,3R)-5-chloro-2,3-dimethyl-2,3-dihydro-1H-indole
CID 95430074
7-chloro-4-methyl-1,2,3,4-tetrahydroquinoline
CID 16744775
7-chloro-4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 82275034
7-chloro-4-ethyl-3,4-dihydro-1H-quinolin-2-one
CID 105463693
(1S)-5-chloro-1-ethyl-2,3-dihydro-1H-indene
CID 155718281
(3R)-5-chloro-3-ethyl-2,3-dihydro-1H-indole
CID 95430825
(7-chloro-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine
CID 84625720
2-(7-chloro-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine
CID 84630649
1-(7-chloro-5-ethyl-1,2,4-trifluoro-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 69088416
3-(2-aminoethyl)-6-chloro-1,3-dihydroindol-2-one
CID 63555127

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-ethyl-2-methyl-2,3-dihydro-1H-indole?
The IUPAC name of 6-chloro-3-ethyl-2-methyl-2,3-dihydro-1H-indole (CID 83915776) is 6-chloro-3-ethyl-2-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-chloro-3-ethyl-2-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for 6-chloro-3-ethyl-2-methyl-2,3-dihydro-1H-indole is CCC1c2ccc(Cl)cc2NC1C.
What is the InChIKey of 6-chloro-3-ethyl-2-methyl-2,3-dihydro-1H-indole?
The InChIKey is OAPRECQDHZQRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-3-9-7(2)13-11-6-8(12)4-5-10(9)11/h4-7,9,13H,3H2,1-2H3.
What are the key properties of 6-chloro-3-ethyl-2-methyl-2,3-dihydro-1H-indole?
6-chloro-3-ethyl-2-methyl-2,3-dihydro-1H-indole has a molecular weight of 195.69 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-ethyl-2-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 83915776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).