7-chloro-1-[(2,6-dimethylphenyl)methyl]indole

C17H16ClN — CID 103475380

IUPAC7-chloro-1-[(2,6-dimethylphenyl)methyl]indole
SMILESCc1cccc(C)c1Cn1ccc2cccc(Cl)c21
InChIInChI=1S/C17H16ClN/c1-12-5-3-6-13(2)15(12)11-19-10-9-14-7-4-8-16(18)17(14)19/h3-10H,11H2,1-2H3
InChIKeyOJYMOHSDOLEOOY-UHFFFAOYSA-N
MW269.78 g/mol
LogP4.96
Rot. Bonds2

About 7-chloro-1-[(2,6-dimethylphenyl)methyl]indole

7-chloro-1-[(2,6-dimethylphenyl)methyl]indole (PubChem CID 103475380) has the molecular formula C17H16ClN and a molecular weight of 269.78 g/mol. Its IUPAC name is 7-chloro-1-[(2,6-dimethylphenyl)methyl]indole.

Molecular Properties

Compound Name7-chloro-1-[(2,6-dimethylphenyl)methyl]indole
PubChem CID103475380
Molecular FormulaC17H16ClN
Molecular Weight269.78 g/mol
Exact Mass269.10
IUPAC Name7-chloro-1-[(2,6-dimethylphenyl)methyl]indole
SMILESCc1cccc(C)c1Cn1ccc2cccc(Cl)c21
InChIInChI=1S/C17H16ClN/c1-12-5-3-6-13(2)15(12)11-19-10-9-14-7-4-8-16(18)17(14)19/h3-10H,11H2,1-2H3
InChIKeyOJYMOHSDOLEOOY-UHFFFAOYSA-N
XLogP4.96
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-chloro-1-[(2,4,6-trimethylphenyl)methyl]indole
CID 103475068
7-chloro-1-[(2,6-difluorophenyl)methyl]indole
CID 103475121
1-[(2,6-dichlorophenyl)methyl]indol-7-amine
CID 114935944
7-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]indole
CID 103474991
7-chloro-1-(2-methoxyethyl)indole
CID 103474736
7-chloro-1-(3-methylbut-2-enyl)indole
CID 103474747
7-chloro-1-(ethoxymethyl)indole
CID 103474866
7-chloro-1-(2-methylprop-2-enyl)indole
CID 103474876
7-chloro-1-decylindole
CID 103474775
7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole
CID 103475124
potassium (7-chloroindol-1-yl)methyl-trifluoroboranuide
CID 103474693
1-[(2,6-dichlorophenyl)methyl]-7-nitroindole
CID 114936176

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-[(2,6-dimethylphenyl)methyl]indole?
The IUPAC name of 7-chloro-1-[(2,6-dimethylphenyl)methyl]indole (CID 103475380) is 7-chloro-1-[(2,6-dimethylphenyl)methyl]indole.
What is the SMILES notation for 7-chloro-1-[(2,6-dimethylphenyl)methyl]indole?
The canonical SMILES for 7-chloro-1-[(2,6-dimethylphenyl)methyl]indole is Cc1cccc(C)c1Cn1ccc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-1-[(2,6-dimethylphenyl)methyl]indole?
The InChIKey is OJYMOHSDOLEOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN/c1-12-5-3-6-13(2)15(12)11-19-10-9-14-7-4-8-16(18)17(14)19/h3-10H,11H2,1-2H3.
What are the key properties of 7-chloro-1-[(2,6-dimethylphenyl)methyl]indole?
7-chloro-1-[(2,6-dimethylphenyl)methyl]indole has a molecular weight of 269.78 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-[(2,6-dimethylphenyl)methyl]indole is sourced from PubChem (CID 103475380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).