5-(3-chlorophenyl)-3,3-dimethyl-1,2-dihydroindole

C16H16ClN — CID 141028677

IUPAC5-(3-chlorophenyl)-3,3-dimethyl-1,2-dihydroindole
SMILESCC1(C)CNc2ccc(-c3cccc(Cl)c3)cc21
InChIInChI=1S/C16H16ClN/c1-16(2)10-18-15-7-6-12(9-14(15)16)11-4-3-5-13(17)8-11/h3-9,18H,10H2,1-2H3
InChIKeyRYBYCNIBLRPVBM-UHFFFAOYSA-N
MW257.76 g/mol
LogP4.71
Rot. Bonds1

About 5-(3-chlorophenyl)-3,3-dimethyl-1,2-dihydroindole

5-(3-chlorophenyl)-3,3-dimethyl-1,2-dihydroindole (PubChem CID 141028677) has the molecular formula C16H16ClN and a molecular weight of 257.76 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-3,3-dimethyl-1,2-dihydroindole.

Molecular Properties

Compound Name5-(3-chlorophenyl)-3,3-dimethyl-1,2-dihydroindole
PubChem CID141028677
Molecular FormulaC16H16ClN
Molecular Weight257.76 g/mol
Exact Mass257.10
IUPAC Name5-(3-chlorophenyl)-3,3-dimethyl-1,2-dihydroindole
SMILESCC1(C)CNc2ccc(-c3cccc(Cl)c3)cc21
InChIInChI=1S/C16H16ClN/c1-16(2)10-18-15-7-6-12(9-14(15)16)11-4-3-5-13(17)8-11/h3-9,18H,10H2,1-2H3
InChIKeyRYBYCNIBLRPVBM-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-benzyl-6-(3-chlorophenyl)-4-methyl-1,2-dihydro-3,1-benzoxazine
CID 141028648
3-(3-chlorophenyl)-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene
CID 167268379
5-chloro-3-methyl-3-propan-2-yl-1,2-dihydroindole
CID 106701880
7-(3-chlorophenyl)-5-methyl-5-thiophen-2-yl-1H-4,1-benzoxazepin-2-one
CID 11303189
3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3,3-dimethyl-1,2-dihydroindol-5-yl)pyridin-2-amine
CID 90205558
4-(3-chlorophenyl)benzene-1,2-diamine
CID 13007821
4-(3-chlorophenyl)-2-methylaniline
CID 23005189
4,5-difluoro-3,3-dimethyl-1,2-dihydroindole
CID 58386473
3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1,2-dihydroindole
CID 154002561
7-(3-chlorophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
CID 67380705
6-(3-chlorophenyl)-3,4-dihydro-2H-isoquinolin-1-one
CID 70291043
6-(3-chlorophenyl)-1H-indole
CID 22049229

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-3,3-dimethyl-1,2-dihydroindole?
The IUPAC name of 5-(3-chlorophenyl)-3,3-dimethyl-1,2-dihydroindole (CID 141028677) is 5-(3-chlorophenyl)-3,3-dimethyl-1,2-dihydroindole.
What is the SMILES notation for 5-(3-chlorophenyl)-3,3-dimethyl-1,2-dihydroindole?
The canonical SMILES for 5-(3-chlorophenyl)-3,3-dimethyl-1,2-dihydroindole is CC1(C)CNc2ccc(-c3cccc(Cl)c3)cc21.
What is the InChIKey of 5-(3-chlorophenyl)-3,3-dimethyl-1,2-dihydroindole?
The InChIKey is RYBYCNIBLRPVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN/c1-16(2)10-18-15-7-6-12(9-14(15)16)11-4-3-5-13(17)8-11/h3-9,18H,10H2,1-2H3.
What are the key properties of 5-(3-chlorophenyl)-3,3-dimethyl-1,2-dihydroindole?
5-(3-chlorophenyl)-3,3-dimethyl-1,2-dihydroindole has a molecular weight of 257.76 g/mol, XLogP of 4.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-3,3-dimethyl-1,2-dihydroindole is sourced from PubChem (CID 141028677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).