1-(3-chloro-1H-indol-6-yl)cyclobutan-1-amine

C12H13ClN2 — CID 117315066

IUPAC1-(3-chloro-1H-indol-6-yl)cyclobutan-1-amine
SMILESNC1(c2ccc3c(Cl)c[nH]c3c2)CCC1
InChIInChI=1S/C12H13ClN2/c13-10-7-15-11-6-8(2-3-9(10)11)12(14)4-1-5-12/h2-3,6-7,15H,1,4-5,14H2
InChIKeyJFBLYPVMJNBZJE-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.16
Rot. Bonds1

About 1-(3-chloro-1H-indol-6-yl)cyclobutan-1-amine

1-(3-chloro-1H-indol-6-yl)cyclobutan-1-amine (PubChem CID 117315066) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 1-(3-chloro-1H-indol-6-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-1H-indol-6-yl)cyclobutan-1-amine
PubChem CID117315066
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name1-(3-chloro-1H-indol-6-yl)cyclobutan-1-amine
SMILESNC1(c2ccc3c(Cl)c[nH]c3c2)CCC1
InChIInChI=1S/C12H13ClN2/c13-10-7-15-11-6-8(2-3-9(10)11)12(14)4-1-5-12/h2-3,6-7,15H,1,4-5,14H2
InChIKeyJFBLYPVMJNBZJE-UHFFFAOYSA-N
XLogP3.16
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-1H-indol-6-yl)cyclobutan-1-amine?
The IUPAC name of 1-(3-chloro-1H-indol-6-yl)cyclobutan-1-amine (CID 117315066) is 1-(3-chloro-1H-indol-6-yl)cyclobutan-1-amine.
What is the SMILES notation for 1-(3-chloro-1H-indol-6-yl)cyclobutan-1-amine?
The canonical SMILES for 1-(3-chloro-1H-indol-6-yl)cyclobutan-1-amine is NC1(c2ccc3c(Cl)c[nH]c3c2)CCC1.
What is the InChIKey of 1-(3-chloro-1H-indol-6-yl)cyclobutan-1-amine?
The InChIKey is JFBLYPVMJNBZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c13-10-7-15-11-6-8(2-3-9(10)11)12(14)4-1-5-12/h2-3,6-7,15H,1,4-5,14H2.
What are the key properties of 1-(3-chloro-1H-indol-6-yl)cyclobutan-1-amine?
1-(3-chloro-1H-indol-6-yl)cyclobutan-1-amine has a molecular weight of 220.70 g/mol, XLogP of 3.16, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-1H-indol-6-yl)cyclobutan-1-amine is sourced from PubChem (CID 117315066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).