6-chloro-3-[(4-ethylphenyl)methyl]-1-methylindole

C18H18ClN — CID 58242497

IUPAC6-chloro-3-[(4-ethylphenyl)methyl]-1-methylindole
SMILESCCc1ccc(Cc2cn(C)c3cc(Cl)ccc23)cc1
InChIInChI=1S/C18H18ClN/c1-3-13-4-6-14(7-5-13)10-15-12-20(2)18-11-16(19)8-9-17(15)18/h4-9,11-12H,3,10H2,1-2H3
InChIKeyJTNHLSXUJNRLKO-UHFFFAOYSA-N
MW283.80 g/mol
LogP4.98
Rot. Bonds3

About 6-chloro-3-[(4-ethylphenyl)methyl]-1-methylindole

6-chloro-3-[(4-ethylphenyl)methyl]-1-methylindole (PubChem CID 58242497) has the molecular formula C18H18ClN and a molecular weight of 283.80 g/mol. Its IUPAC name is 6-chloro-3-[(4-ethylphenyl)methyl]-1-methylindole.

Molecular Properties

Compound Name6-chloro-3-[(4-ethylphenyl)methyl]-1-methylindole
PubChem CID58242497
Molecular FormulaC18H18ClN
Molecular Weight283.80 g/mol
Exact Mass283.11
IUPAC Name6-chloro-3-[(4-ethylphenyl)methyl]-1-methylindole
SMILESCCc1ccc(Cc2cn(C)c3cc(Cl)ccc23)cc1
InChIInChI=1S/C18H18ClN/c1-3-13-4-6-14(7-5-13)10-15-12-20(2)18-11-16(19)8-9-17(15)18/h4-9,11-12H,3,10H2,1-2H3
InChIKeyJTNHLSXUJNRLKO-UHFFFAOYSA-N
XLogP4.98
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(4-ethylphenyl)methyl]-1-methylindole?
The IUPAC name of 6-chloro-3-[(4-ethylphenyl)methyl]-1-methylindole (CID 58242497) is 6-chloro-3-[(4-ethylphenyl)methyl]-1-methylindole.
What is the SMILES notation for 6-chloro-3-[(4-ethylphenyl)methyl]-1-methylindole?
The canonical SMILES for 6-chloro-3-[(4-ethylphenyl)methyl]-1-methylindole is CCc1ccc(Cc2cn(C)c3cc(Cl)ccc23)cc1.
What is the InChIKey of 6-chloro-3-[(4-ethylphenyl)methyl]-1-methylindole?
The InChIKey is JTNHLSXUJNRLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN/c1-3-13-4-6-14(7-5-13)10-15-12-20(2)18-11-16(19)8-9-17(15)18/h4-9,11-12H,3,10H2,1-2H3.
What are the key properties of 6-chloro-3-[(4-ethylphenyl)methyl]-1-methylindole?
6-chloro-3-[(4-ethylphenyl)methyl]-1-methylindole has a molecular weight of 283.80 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(4-ethylphenyl)methyl]-1-methylindole is sourced from PubChem (CID 58242497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).