5-chloro-3-methyl-3-propan-2-yl-1,2-dihydroindole

C12H16ClN — CID 106701880

IUPAC5-chloro-3-methyl-3-propan-2-yl-1,2-dihydroindole
SMILESCC(C)C1(C)CNc2ccc(Cl)cc21
InChIInChI=1S/C12H16ClN/c1-8(2)12(3)7-14-11-5-4-9(13)6-10(11)12/h4-6,8,14H,7H2,1-3H3
InChIKeyAKCKZXUHWARCKG-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.68
Rot. Bonds1

About 5-chloro-3-methyl-3-propan-2-yl-1,2-dihydroindole

5-chloro-3-methyl-3-propan-2-yl-1,2-dihydroindole (PubChem CID 106701880) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 5-chloro-3-methyl-3-propan-2-yl-1,2-dihydroindole.

Molecular Properties

Compound Name5-chloro-3-methyl-3-propan-2-yl-1,2-dihydroindole
PubChem CID106701880
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name5-chloro-3-methyl-3-propan-2-yl-1,2-dihydroindole
SMILESCC(C)C1(C)CNc2ccc(Cl)cc21
InChIInChI=1S/C12H16ClN/c1-8(2)12(3)7-14-11-5-4-9(13)6-10(11)12/h4-6,8,14H,7H2,1-3H3
InChIKeyAKCKZXUHWARCKG-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-3-methyl-3-propan-2-yl-1,2-dihydroindole
CID 106701891
7-chloro-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide
CID 84632106
(3R)-5-chloro-1'-methylspiro[1,2-dihydroindole-3,3'-pyrrolidine]
CID 70993859
6-chloro-2,2-dimethyl-1,3-dihydroindole
CID 84718600
5-(3-chlorophenyl)-3,3-dimethyl-1,2-dihydroindole
CID 141028677
7-chlorospiro[1,2,3,4-tetrahydro-1-benzazepine-5,1'-cyclopropane]
CID 170250564
7-chlorospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopropane]
CID 115452175
3,5,7-trimethyl-3-propan-2-yl-1,2-dihydroindole
CID 106701894
6-chloro-4-ethynyl-4-propan-2-yl-1H-quinazoline
CID 154446332
7-chlorospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopentane]
CID 115434699
7-chlorospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclobutane]
CID 115447294
7-chloro-3,3-dimethyl-1-(2-methylpropyl)-4,5-dihydro-2H-1,5-benzodiazepine
CID 117016007

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-3-propan-2-yl-1,2-dihydroindole?
The IUPAC name of 5-chloro-3-methyl-3-propan-2-yl-1,2-dihydroindole (CID 106701880) is 5-chloro-3-methyl-3-propan-2-yl-1,2-dihydroindole.
What is the SMILES notation for 5-chloro-3-methyl-3-propan-2-yl-1,2-dihydroindole?
The canonical SMILES for 5-chloro-3-methyl-3-propan-2-yl-1,2-dihydroindole is CC(C)C1(C)CNc2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-3-methyl-3-propan-2-yl-1,2-dihydroindole?
The InChIKey is AKCKZXUHWARCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-8(2)12(3)7-14-11-5-4-9(13)6-10(11)12/h4-6,8,14H,7H2,1-3H3.
What are the key properties of 5-chloro-3-methyl-3-propan-2-yl-1,2-dihydroindole?
5-chloro-3-methyl-3-propan-2-yl-1,2-dihydroindole has a molecular weight of 209.72 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-3-propan-2-yl-1,2-dihydroindole is sourced from PubChem (CID 106701880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).