3-chloro-1-methyl-4-propan-2-yl-6-propylindole

C15H20ClN — CID 155249839

IUPAC3-chloro-1-methyl-4-propan-2-yl-6-propylindole
SMILESCCCc1cc(C(C)C)c2c(Cl)cn(C)c2c1
InChIInChI=1S/C15H20ClN/c1-5-6-11-7-12(10(2)3)15-13(16)9-17(4)14(15)8-11/h7-10H,5-6H2,1-4H3
InChIKeyOWBJBCMPFHWMJM-UHFFFAOYSA-N
MW249.78 g/mol
LogP4.91
Rot. Bonds3

About 3-chloro-1-methyl-4-propan-2-yl-6-propylindole

3-chloro-1-methyl-4-propan-2-yl-6-propylindole (PubChem CID 155249839) has the molecular formula C15H20ClN and a molecular weight of 249.78 g/mol. Its IUPAC name is 3-chloro-1-methyl-4-propan-2-yl-6-propylindole.

Molecular Properties

Compound Name3-chloro-1-methyl-4-propan-2-yl-6-propylindole
PubChem CID155249839
Molecular FormulaC15H20ClN
Molecular Weight249.78 g/mol
Exact Mass249.13
IUPAC Name3-chloro-1-methyl-4-propan-2-yl-6-propylindole
SMILESCCCc1cc(C(C)C)c2c(Cl)cn(C)c2c1
InChIInChI=1S/C15H20ClN/c1-5-6-11-7-12(10(2)3)15-13(16)9-17(4)14(15)8-11/h7-10H,5-6H2,1-4H3
InChIKeyOWBJBCMPFHWMJM-UHFFFAOYSA-N
XLogP4.91
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.78
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-methyl-4-propan-2-yl-6-propylindole?
The IUPAC name of 3-chloro-1-methyl-4-propan-2-yl-6-propylindole (CID 155249839) is 3-chloro-1-methyl-4-propan-2-yl-6-propylindole.
What is the SMILES notation for 3-chloro-1-methyl-4-propan-2-yl-6-propylindole?
The canonical SMILES for 3-chloro-1-methyl-4-propan-2-yl-6-propylindole is CCCc1cc(C(C)C)c2c(Cl)cn(C)c2c1.
What is the InChIKey of 3-chloro-1-methyl-4-propan-2-yl-6-propylindole?
The InChIKey is OWBJBCMPFHWMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN/c1-5-6-11-7-12(10(2)3)15-13(16)9-17(4)14(15)8-11/h7-10H,5-6H2,1-4H3.
What are the key properties of 3-chloro-1-methyl-4-propan-2-yl-6-propylindole?
3-chloro-1-methyl-4-propan-2-yl-6-propylindole has a molecular weight of 249.78 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-methyl-4-propan-2-yl-6-propylindole is sourced from PubChem (CID 155249839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).