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

C16H13Cl2N — CID 107310123

IUPAC1-[(2,3-dichlorophenyl)methyl]-2-methylindole
SMILESCc1cc2ccccc2n1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H13Cl2N/c1-11-9-12-5-2-3-8-15(12)19(11)10-13-6-4-7-14(17)16(13)18/h2-9H,10H2,1H3
InChIKeyGALSSVCFQYQLIG-UHFFFAOYSA-N
MW290.19 g/mol
LogP5.30
Rot. Bonds2

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

1-[(2,3-dichlorophenyl)methyl]-2-methylindole (PubChem CID 107310123) has the molecular formula C16H13Cl2N and a molecular weight of 290.19 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenyl)methyl]-2-methylindole.

Molecular Properties

Compound Name1-[(2,3-dichlorophenyl)methyl]-2-methylindole
PubChem CID107310123
Molecular FormulaC16H13Cl2N
Molecular Weight290.19 g/mol
Exact Mass289.04
IUPAC Name1-[(2,3-dichlorophenyl)methyl]-2-methylindole
SMILESCc1cc2ccccc2n1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H13Cl2N/c1-11-9-12-5-2-3-8-15(12)19(11)10-13-6-4-7-14(17)16(13)18/h2-9H,10H2,1H3
InChIKeyGALSSVCFQYQLIG-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-[(2-chlorophenyl)methyl]-2-methylindole
CID 4050112
1-[(2-chloro-4-fluorophenyl)methyl]-2-methylindole
CID 63810962
1-[(4-chloro-2-fluorophenyl)methyl]-2-methylindole
CID 114859479
1-[(3,4-dichlorophenyl)methyl]-2-methylindole
CID 63812577
1-[(2,6-difluorophenyl)methyl]-2-methylindole
CID 114934250
1-[(4-fluorophenyl)methyl]-2-methylindole
CID 3272016
1-[(2,3-dichlorophenyl)methyl]-3-methylbenzimidazol-2-one
CID 107310149
1-[1-[(2-chloro-3-fluorophenyl)methyl]indol-2-yl]-N-methylmethanamine
CID 115984349
3-fluoro-4-[(2-methylindol-1-yl)methyl]benzonitrile
CID 63811278
3-[(2-methylindol-1-yl)methyl]thiophene-2-carboxylic acid
CID 63641581
4-fluoro-3-[(2-methylindol-1-yl)methyl]benzamide
CID 63810152
1-[(1-ethylimidazol-2-yl)methyl]-2-methylindole
CID 63811754

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-2-methylindole?
The IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-2-methylindole (CID 107310123) is 1-[(2,3-dichlorophenyl)methyl]-2-methylindole.
What is the SMILES notation for 1-[(2,3-dichlorophenyl)methyl]-2-methylindole?
The canonical SMILES for 1-[(2,3-dichlorophenyl)methyl]-2-methylindole is Cc1cc2ccccc2n1Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-[(2,3-dichlorophenyl)methyl]-2-methylindole?
The InChIKey is GALSSVCFQYQLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N/c1-11-9-12-5-2-3-8-15(12)19(11)10-13-6-4-7-14(17)16(13)18/h2-9H,10H2,1H3.
What are the key properties of 1-[(2,3-dichlorophenyl)methyl]-2-methylindole?
1-[(2,3-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-[(2,3-dichlorophenyl)methyl]-2-methylindole is sourced from PubChem (CID 107310123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).