2-(5-chloro-1H-indol-3-yl)ethyl-propan-2-ylazanium;ethane

C17H30ClN2+ — CID 170598946

IUPAC2-(5-chloro-1H-indol-3-yl)ethyl-propan-2-ylazanium;ethane
SMILESCC.CC.CC(C)[NH2+]CCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C13H17ClN2.2C2H6/c1-9(2)15-6-5-10-8-16-13-4-3-11(14)7-12(10)13;2*1-2/h3-4,7-9,15-16H,5-6H2,1-2H3;2*1-2H3/p+1
InChIKeyRHLSLBDCXNXOIN-UHFFFAOYSA-O
MW297.89 g/mol
LogP4.39
Rot. Bonds4

About 2-(5-chloro-1H-indol-3-yl)ethyl-propan-2-ylazanium;ethane

2-(5-chloro-1H-indol-3-yl)ethyl-propan-2-ylazanium;ethane (PubChem CID 170598946) has the molecular formula C17H30ClN2+ and a molecular weight of 297.89 g/mol. Its IUPAC name is 2-(5-chloro-1H-indol-3-yl)ethyl-propan-2-ylazanium;ethane.

Molecular Properties

Compound Name2-(5-chloro-1H-indol-3-yl)ethyl-propan-2-ylazanium;ethane
PubChem CID170598946
Molecular FormulaC17H30ClN2+
Molecular Weight297.89 g/mol
Exact Mass297.21
IUPAC Name2-(5-chloro-1H-indol-3-yl)ethyl-propan-2-ylazanium;ethane
SMILESCC.CC.CC(C)[NH2+]CCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C13H17ClN2.2C2H6/c1-9(2)15-6-5-10-8-16-13-4-3-11(14)7-12(10)13;2*1-2/h3-4,7-9,15-16H,5-6H2,1-2H3;2*1-2H3/p+1
InChIKeyRHLSLBDCXNXOIN-UHFFFAOYSA-O
XLogP4.39
TPSA32.40 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.89
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze 2-(5-chloro-1H-indol-3-yl)ethyl-propan-2-ylazanium;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-chloro-1H-indol-3-yl)ethanamine chloride
CID 43829444
4-(5-chloro-1H-indol-3-yl)butane-1,2-diamine
CID 57176365
2-(5-chloro-1H-indol-3-yl)ethylazanium chloride
CID 11736386
1-(5-chloro-1H-indol-3-yl)-3-methylbutan-2-one
CID 166554148
3-(5-chloro-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 154878767
4-(5-chloro-1H-indol-3-yl)butan-2-one
CID 28806460
5-chloro-3-[2-(2-ethylphenyl)ethyl]-1H-indole
CID 90747819
3-(5-chloro-1H-indol-3-yl)-N-ethylpropan-1-amine
CID 96674281
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-propan-2-ylurea
CID 113083690
5-chloro-3-(ethylsulfanylmethyl)-1H-indole
CID 57132711
(Z)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]but-2-en-1-imine;ethene
CID 178016943
3-(bromomethyl)-6-chloro-1H-indole
CID 131288743

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-indol-3-yl)ethyl-propan-2-ylazanium;ethane?
The IUPAC name of 2-(5-chloro-1H-indol-3-yl)ethyl-propan-2-ylazanium;ethane (CID 170598946) is 2-(5-chloro-1H-indol-3-yl)ethyl-propan-2-ylazanium;ethane.
What is the SMILES notation for 2-(5-chloro-1H-indol-3-yl)ethyl-propan-2-ylazanium;ethane?
The canonical SMILES for 2-(5-chloro-1H-indol-3-yl)ethyl-propan-2-ylazanium;ethane is CC.CC.CC(C)[NH2+]CCc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 2-(5-chloro-1H-indol-3-yl)ethyl-propan-2-ylazanium;ethane?
The InChIKey is RHLSLBDCXNXOIN-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H17ClN2.2C2H6/c1-9(2)15-6-5-10-8-16-13-4-3-11(14)7-12(10)13;2*1-2/h3-4,7-9,15-16H,5-6H2,1-2H3;2*1-2H3/p+1.
What are the key properties of 2-(5-chloro-1H-indol-3-yl)ethyl-propan-2-ylazanium;ethane?
2-(5-chloro-1H-indol-3-yl)ethyl-propan-2-ylazanium;ethane has a molecular weight of 297.89 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1H-indol-3-yl)ethyl-propan-2-ylazanium;ethane is sourced from PubChem (CID 170598946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).