2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethylazanium

C12H16ClN2+ — CID 6983621

IUPAC2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethylazanium
SMILESCc1[nH]c2c(C)ccc(Cl)c2c1CC[NH3+]
InChIInChI=1S/C12H15ClN2/c1-7-3-4-10(13)11-9(5-6-14)8(2)15-12(7)11/h3-4,15H,5-6,14H2,1-2H3/p+1
InChIKeySIPAOIBEPJIPPY-UHFFFAOYSA-O
MW223.73 g/mol
LogP2.22
Rot. Bonds2

About 2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethylazanium

2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethylazanium (PubChem CID 6983621) has the molecular formula C12H16ClN2+ and a molecular weight of 223.73 g/mol. Its IUPAC name is 2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethylazanium.

Molecular Properties

Compound Name2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethylazanium
PubChem CID6983621
Molecular FormulaC12H16ClN2+
Molecular Weight223.73 g/mol
Exact Mass223.10
IUPAC Name2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethylazanium
SMILESCc1[nH]c2c(C)ccc(Cl)c2c1CC[NH3+]
InChIInChI=1S/C12H15ClN2/c1-7-3-4-10(13)11-9(5-6-14)8(2)15-12(7)11/h3-4,15H,5-6,14H2,1-2H3/p+1
InChIKeySIPAOIBEPJIPPY-UHFFFAOYSA-O
XLogP2.22
TPSA43.43 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.73
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethylazanium?
The IUPAC name of 2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethylazanium (CID 6983621) is 2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethylazanium.
What is the SMILES notation for 2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethylazanium?
The canonical SMILES for 2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethylazanium is Cc1[nH]c2c(C)ccc(Cl)c2c1CC[NH3+].
What is the InChIKey of 2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethylazanium?
The InChIKey is SIPAOIBEPJIPPY-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H15ClN2/c1-7-3-4-10(13)11-9(5-6-14)8(2)15-12(7)11/h3-4,15H,5-6,14H2,1-2H3/p+1.
What are the key properties of 2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethylazanium?
2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethylazanium has a molecular weight of 223.73 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethylazanium is sourced from PubChem (CID 6983621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).