1-[(3,4-dichlorophenyl)methyl]-2-methylindole

C16H13Cl2N — CID 63812577

IUPAC1-[(3,4-dichlorophenyl)methyl]-2-methylindole
SMILESCc1cc2ccccc2n1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl2N/c1-11-8-13-4-2-3-5-16(13)19(11)10-12-6-7-14(17)15(18)9-12/h2-9H,10H2,1H3
InChIKeyQJYYTGNRHKBUPU-UHFFFAOYSA-N
MW290.19 g/mol
LogP5.30
Rot. Bonds2

About 1-[(3,4-dichlorophenyl)methyl]-2-methylindole

1-[(3,4-dichlorophenyl)methyl]-2-methylindole (PubChem CID 63812577) has the molecular formula C16H13Cl2N and a molecular weight of 290.19 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-2-methylindole.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-2-methylindole
PubChem CID63812577
Molecular FormulaC16H13Cl2N
Molecular Weight290.19 g/mol
Exact Mass289.04
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-2-methylindole
SMILESCc1cc2ccccc2n1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl2N/c1-11-8-13-4-2-3-5-16(13)19(11)10-12-6-7-14(17)15(18)9-12/h2-9H,10H2,1H3
InChIKeyQJYYTGNRHKBUPU-UHFFFAOYSA-N
XLogP5.30
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.19
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-fluorophenyl)methyl]-2-methylindole
CID 3272016
1-[(3,4-dichlorophenyl)methyl]-2-methylindol-5-ol
CID 174670552
1-[(2-chlorophenyl)methyl]-2-methylindole
CID 4050112
1-[(2,3-dichlorophenyl)methyl]-2-methylindole
CID 107310123
1-[(2-chloro-4-fluorophenyl)methyl]-2-methylindole
CID 63810962
2-[1-[(3,4-dichlorophenyl)methyl]indol-2-yl]-1,3,4-oxadiazole
CID 41160220
1-[(3,4-dichlorophenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 18879503
N-[4-[(2-methylindol-1-yl)methyl]phenyl]ethanesulfonamide
CID 20751562
1-benzyl-6-chloro-2-methylindole
CID 121404424
1-[(4-chloro-2-fluorophenyl)methyl]-2-methylindole
CID 114859479
2-chloro-1-[(4-ethylphenyl)methyl]indole
CID 90911946
1-[(3,4-dichlorophenyl)methyl]-2-methylindole-3-carbaldehyde
CID 879291

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-2-methylindole?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-2-methylindole (CID 63812577) is 1-[(3,4-dichlorophenyl)methyl]-2-methylindole.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-2-methylindole?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-2-methylindole is Cc1cc2ccccc2n1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-2-methylindole?
The InChIKey is QJYYTGNRHKBUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N/c1-11-8-13-4-2-3-5-16(13)19(11)10-12-6-7-14(17)15(18)9-12/h2-9H,10H2,1H3.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-2-methylindole?
1-[(3,4-dichlorophenyl)methyl]-2-methylindole has a molecular weight of 290.19 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-2-methylindole is sourced from PubChem (CID 63812577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).