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

C16H13Cl2N — CID 116620210

IUPAC1-[(3,4-dichlorophenyl)methyl]-4-methylindole
SMILESCc1cccc2c1ccn2Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl2N/c1-11-3-2-4-16-13(11)7-8-19(16)10-12-5-6-14(17)15(18)9-12/h2-9H,10H2,1H3
InChIKeyWMBIVAXVOWVCPO-UHFFFAOYSA-N
MW290.19 g/mol
LogP5.30
Rot. Bonds2

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

1-[(3,4-dichlorophenyl)methyl]-4-methylindole (PubChem CID 116620210) has the molecular formula C16H13Cl2N and a molecular weight of 290.19 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-4-methylindole.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-4-methylindole
PubChem CID116620210
Molecular FormulaC16H13Cl2N
Molecular Weight290.19 g/mol
Exact Mass289.04
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-4-methylindole
SMILESCc1cccc2c1ccn2Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl2N/c1-11-3-2-4-16-13(11)7-8-19(16)10-12-5-6-14(17)15(18)9-12/h2-9H,10H2,1H3
InChIKeyWMBIVAXVOWVCPO-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-chloro-3-fluorophenyl)methyl]-4-methylindole
CID 107887790
4-bromo-1-[(3,4-dichlorophenyl)methyl]indole
CID 116626065
3-[(4-methylindol-1-yl)methyl]benzamide
CID 116620217
1-[(3,4-dichlorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]indole
CID 141006265
4-chloro-1-[(3,5-dimethylphenyl)methyl]indole
CID 116623712
4-methyl-1-(pyrimidin-2-ylmethyl)indole
CID 116620137
3-[4-[(4-methylindol-1-yl)methyl]phenyl]-1,2-oxazole-5-carboxylic acid
CID 153411027
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-methylindole
CID 116620304
4-methyl-1-[(1-methylpyrazol-3-yl)methyl]indole
CID 116620312
[4-fluoro-3-[(4-methylindol-1-yl)methyl]phenyl]methanamine
CID 43342104
2-chloro-5-[(3-methylindol-1-yl)methyl]aniline
CID 43316655
1-[(3,4-dichlorophenyl)methyl]-5-[2-(ethylamino)ethyl]pyrrolo[3,2-c]pyridin-4-one
CID 142600952

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-4-methylindole?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-4-methylindole (CID 116620210) is 1-[(3,4-dichlorophenyl)methyl]-4-methylindole.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-4-methylindole?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-4-methylindole is Cc1cccc2c1ccn2Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-4-methylindole?
The InChIKey is WMBIVAXVOWVCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N/c1-11-3-2-4-16-13(11)7-8-19(16)10-12-5-6-14(17)15(18)9-12/h2-9H,10H2,1H3.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-4-methylindole?
1-[(3,4-dichlorophenyl)methyl]-4-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]-4-methylindole is sourced from PubChem (CID 116620210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).