1-[(2-chloro-4-methylphenyl)methyl]-5-methylindole

C17H16ClN — CID 106870004

IUPAC1-[(2-chloro-4-methylphenyl)methyl]-5-methylindole
SMILESCc1ccc(Cn2ccc3cc(C)ccc32)c(Cl)c1
InChIInChI=1S/C17H16ClN/c1-12-4-6-17-14(9-12)7-8-19(17)11-15-5-3-13(2)10-16(15)18/h3-10H,11H2,1-2H3
InChIKeyIBEDRYUUJRPHAV-UHFFFAOYSA-N
MW269.78 g/mol
LogP4.96
Rot. Bonds2

About 1-[(2-chloro-4-methylphenyl)methyl]-5-methylindole

1-[(2-chloro-4-methylphenyl)methyl]-5-methylindole (PubChem CID 106870004) has the molecular formula C17H16ClN and a molecular weight of 269.78 g/mol. Its IUPAC name is 1-[(2-chloro-4-methylphenyl)methyl]-5-methylindole.

Molecular Properties

Compound Name1-[(2-chloro-4-methylphenyl)methyl]-5-methylindole
PubChem CID106870004
Molecular FormulaC17H16ClN
Molecular Weight269.78 g/mol
Exact Mass269.10
IUPAC Name1-[(2-chloro-4-methylphenyl)methyl]-5-methylindole
SMILESCc1ccc(Cn2ccc3cc(C)ccc32)c(Cl)c1
InChIInChI=1S/C17H16ClN/c1-12-4-6-17-14(9-12)7-8-19(17)11-15-5-3-13(2)10-16(15)18/h3-10H,11H2,1-2H3
InChIKeyIBEDRYUUJRPHAV-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

6-bromo-1-[(2-chloro-4-methylphenyl)methyl]indole
CID 106869999
1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole
CID 102620300
1-[(2-chloro-4-methylphenyl)methyl]indol-6-amine
CID 106863378
4-chloro-1-[(2-chloro-4-methylphenyl)methyl]indole
CID 106870007
5-methyl-1-(naphthalen-1-ylmethyl)indole
CID 110831307
[4-fluoro-2-[(5-methylindol-1-yl)methyl]phenyl]methanamine
CID 64764833
[1-[(2,4-dichlorophenyl)methyl]indol-5-yl]methanol
CID 102912858
1-[(2-bromo-5-methoxyphenyl)methyl]-5-methylindole
CID 116622881
1-(2,2-dimethylpropyl)-5-methylindole
CID 90966063
5-methyl-4-[(5-methylindol-1-yl)methyl]thiophene-2-carboxylic acid
CID 80731244
1-(methoxymethyl)-5-methylindole
CID 110831319
3-chloro-4-[(5-fluoroindol-1-yl)methyl]benzonitrile
CID 102670377

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]-5-methylindole?
The IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]-5-methylindole (CID 106870004) is 1-[(2-chloro-4-methylphenyl)methyl]-5-methylindole.
What is the SMILES notation for 1-[(2-chloro-4-methylphenyl)methyl]-5-methylindole?
The canonical SMILES for 1-[(2-chloro-4-methylphenyl)methyl]-5-methylindole is Cc1ccc(Cn2ccc3cc(C)ccc32)c(Cl)c1.
What is the InChIKey of 1-[(2-chloro-4-methylphenyl)methyl]-5-methylindole?
The InChIKey is IBEDRYUUJRPHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN/c1-12-4-6-17-14(9-12)7-8-19(17)11-15-5-3-13(2)10-16(15)18/h3-10H,11H2,1-2H3.
What are the key properties of 1-[(2-chloro-4-methylphenyl)methyl]-5-methylindole?
1-[(2-chloro-4-methylphenyl)methyl]-5-methylindole 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 1-[(2-chloro-4-methylphenyl)methyl]-5-methylindole is sourced from PubChem (CID 106870004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).