2-(5-chloro-1-methylindol-2-yl)-2-cyclobutylethanamine

C15H19ClN2 — CID 82666540

IUPAC2-(5-chloro-1-methylindol-2-yl)-2-cyclobutylethanamine
SMILESCn1c(C(CN)C2CCC2)cc2cc(Cl)ccc21
InChIInChI=1S/C15H19ClN2/c1-18-14-6-5-12(16)7-11(14)8-15(18)13(9-17)10-3-2-4-10/h5-8,10,13H,2-4,9,17H2,1H3
InChIKeyYJVQZOZPDNOKFY-UHFFFAOYSA-N
MW262.78 g/mol
LogP3.67
Rot. Bonds3

About 2-(5-chloro-1-methylindol-2-yl)-2-cyclobutylethanamine

2-(5-chloro-1-methylindol-2-yl)-2-cyclobutylethanamine (PubChem CID 82666540) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 2-(5-chloro-1-methylindol-2-yl)-2-cyclobutylethanamine.

Molecular Properties

Compound Name2-(5-chloro-1-methylindol-2-yl)-2-cyclobutylethanamine
PubChem CID82666540
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name2-(5-chloro-1-methylindol-2-yl)-2-cyclobutylethanamine
SMILESCn1c(C(CN)C2CCC2)cc2cc(Cl)ccc21
InChIInChI=1S/C15H19ClN2/c1-18-14-6-5-12(16)7-11(14)8-15(18)13(9-17)10-3-2-4-10/h5-8,10,13H,2-4,9,17H2,1H3
InChIKeyYJVQZOZPDNOKFY-UHFFFAOYSA-N
XLogP3.67
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-methylindol-2-yl)-2-cyclobutylethanamine?
The IUPAC name of 2-(5-chloro-1-methylindol-2-yl)-2-cyclobutylethanamine (CID 82666540) is 2-(5-chloro-1-methylindol-2-yl)-2-cyclobutylethanamine.
What is the SMILES notation for 2-(5-chloro-1-methylindol-2-yl)-2-cyclobutylethanamine?
The canonical SMILES for 2-(5-chloro-1-methylindol-2-yl)-2-cyclobutylethanamine is Cn1c(C(CN)C2CCC2)cc2cc(Cl)ccc21.
What is the InChIKey of 2-(5-chloro-1-methylindol-2-yl)-2-cyclobutylethanamine?
The InChIKey is YJVQZOZPDNOKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-18-14-6-5-12(16)7-11(14)8-15(18)13(9-17)10-3-2-4-10/h5-8,10,13H,2-4,9,17H2,1H3.
What are the key properties of 2-(5-chloro-1-methylindol-2-yl)-2-cyclobutylethanamine?
2-(5-chloro-1-methylindol-2-yl)-2-cyclobutylethanamine has a molecular weight of 262.78 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-methylindol-2-yl)-2-cyclobutylethanamine is sourced from PubChem (CID 82666540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).