4-chloro-1-[(3,5-dimethylphenyl)methyl]indole

C17H16ClN — CID 116623712

IUPAC4-chloro-1-[(3,5-dimethylphenyl)methyl]indole
SMILESCc1cc(C)cc(Cn2ccc3c(Cl)cccc32)c1
InChIInChI=1S/C17H16ClN/c1-12-8-13(2)10-14(9-12)11-19-7-6-15-16(18)4-3-5-17(15)19/h3-10H,11H2,1-2H3
InChIKeyFMIYTTJZZKTRLF-UHFFFAOYSA-N
MW269.78 g/mol
LogP4.96
Rot. Bonds2

About 4-chloro-1-[(3,5-dimethylphenyl)methyl]indole

4-chloro-1-[(3,5-dimethylphenyl)methyl]indole (PubChem CID 116623712) has the molecular formula C17H16ClN and a molecular weight of 269.78 g/mol. Its IUPAC name is 4-chloro-1-[(3,5-dimethylphenyl)methyl]indole.

Molecular Properties

Compound Name4-chloro-1-[(3,5-dimethylphenyl)methyl]indole
PubChem CID116623712
Molecular FormulaC17H16ClN
Molecular Weight269.78 g/mol
Exact Mass269.10
IUPAC Name4-chloro-1-[(3,5-dimethylphenyl)methyl]indole
SMILESCc1cc(C)cc(Cn2ccc3c(Cl)cccc32)c1
InChIInChI=1S/C17H16ClN/c1-12-8-13(2)10-14(9-12)11-19-7-6-15-16(18)4-3-5-17(15)19/h3-10H,11H2,1-2H3
InChIKeyFMIYTTJZZKTRLF-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

4-chloro-1-[(2-chloro-4-methylphenyl)methyl]indole
CID 106870007
4-chloro-1-(furan-3-ylmethyl)indole
CID 116623869
1-[(3,4-dichlorophenyl)methyl]-4-methylindole
CID 116620210
4-chloro-1-(pyridin-2-ylmethyl)indole
CID 116623601
5-[(4-chloroindol-1-yl)methyl]-1,2-oxazole
CID 116623604
4-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole
CID 102620303
1-[(4-chloro-3-fluorophenyl)methyl]-4-methylindole
CID 107887790
4-chloro-1-[(2,4-difluorophenyl)methyl]indole
CID 116623841
4-chloro-1-[(2,5-difluorophenyl)methyl]indole
CID 116623695
4-chloro-1-(2,3-dihydro-1H-imidazol-4-ylmethyl)indole
CID 69203960
4-chloro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole
CID 116623519
4-chloro-1-[(2-chloro-3-fluorophenyl)methyl]indole
CID 116623871

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(3,5-dimethylphenyl)methyl]indole?
The IUPAC name of 4-chloro-1-[(3,5-dimethylphenyl)methyl]indole (CID 116623712) is 4-chloro-1-[(3,5-dimethylphenyl)methyl]indole.
What is the SMILES notation for 4-chloro-1-[(3,5-dimethylphenyl)methyl]indole?
The canonical SMILES for 4-chloro-1-[(3,5-dimethylphenyl)methyl]indole is Cc1cc(C)cc(Cn2ccc3c(Cl)cccc32)c1.
What is the InChIKey of 4-chloro-1-[(3,5-dimethylphenyl)methyl]indole?
The InChIKey is FMIYTTJZZKTRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN/c1-12-8-13(2)10-14(9-12)11-19-7-6-15-16(18)4-3-5-17(15)19/h3-10H,11H2,1-2H3.
What are the key properties of 4-chloro-1-[(3,5-dimethylphenyl)methyl]indole?
4-chloro-1-[(3,5-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 4-chloro-1-[(3,5-dimethylphenyl)methyl]indole is sourced from PubChem (CID 116623712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).