2-(1H-indol-3-yl)ethyl-(pyridin-4-ylmethyl)azanium chloride

C16H18ClN3 — CID 44665134

IUPAC2-(1H-indol-3-yl)ethyl-(pyridin-4-ylmethyl)azanium chloride
SMILES[Cl-].c1ccc2c(CC[NH2+]Cc3ccncc3)c[nH]c2c1
InChIInChI=1S/C16H17N3.ClH/c1-2-4-16-15(3-1)14(12-19-16)7-10-18-11-13-5-8-17-9-6-13;/h1-6,8-9,12,18-19H,7,10-11H2;1H
InChIKeyVMASMXLMZKYETH-UHFFFAOYSA-N
MW287.79 g/mol
LogP-1.13
Rot. Bonds5

About 2-(1H-indol-3-yl)ethyl-(pyridin-4-ylmethyl)azanium chloride

2-(1H-indol-3-yl)ethyl-(pyridin-4-ylmethyl)azanium chloride (PubChem CID 44665134) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)ethyl-(pyridin-4-ylmethyl)azanium chloride.

Molecular Properties

Compound Name2-(1H-indol-3-yl)ethyl-(pyridin-4-ylmethyl)azanium chloride
PubChem CID44665134
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name2-(1H-indol-3-yl)ethyl-(pyridin-4-ylmethyl)azanium chloride
SMILES[Cl-].c1ccc2c(CC[NH2+]Cc3ccncc3)c[nH]c2c1
InChIInChI=1S/C16H17N3.ClH/c1-2-4-16-15(3-1)14(12-19-16)7-10-18-11-13-5-8-17-9-6-13;/h1-6,8-9,12,18-19H,7,10-11H2;1H
InChIKeyVMASMXLMZKYETH-UHFFFAOYSA-N
XLogP-1.13
TPSA45.29 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1H-indol-3-yl)ethyl-(thiophen-2-ylmethyl)azanium chloride
CID 44664324
(3,5-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]azanium
CID 2055772
N-(1H-indol-3-ylmethyl)-2-pyridin-4-ylethanamine
CID 62324302
1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-4-ylmethyl)benzene-1,4-diamine
CID 59555658
3-(2-pyridin-3-ylethyl)-1H-indole
CID 19005702
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
ethane-1,2-diamine;N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide;platinum
CID 142609872
2-(1H-indol-3-yl)ethyl-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]azanium
CID 7248572
3-(1H-indol-3-yl)propylazanium chloride
CID 28988
8-(1H-indol-3-yl)octan-1-amine
CID 57188115
2-(1H-indol-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 43429962
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)ethyl-(pyridin-4-ylmethyl)azanium chloride?
The IUPAC name of 2-(1H-indol-3-yl)ethyl-(pyridin-4-ylmethyl)azanium chloride (CID 44665134) is 2-(1H-indol-3-yl)ethyl-(pyridin-4-ylmethyl)azanium chloride.
What is the SMILES notation for 2-(1H-indol-3-yl)ethyl-(pyridin-4-ylmethyl)azanium chloride?
The canonical SMILES for 2-(1H-indol-3-yl)ethyl-(pyridin-4-ylmethyl)azanium chloride is [Cl-].c1ccc2c(CC[NH2+]Cc3ccncc3)c[nH]c2c1.
What is the InChIKey of 2-(1H-indol-3-yl)ethyl-(pyridin-4-ylmethyl)azanium chloride?
The InChIKey is VMASMXLMZKYETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3.ClH/c1-2-4-16-15(3-1)14(12-19-16)7-10-18-11-13-5-8-17-9-6-13;/h1-6,8-9,12,18-19H,7,10-11H2;1H.
What are the key properties of 2-(1H-indol-3-yl)ethyl-(pyridin-4-ylmethyl)azanium chloride?
2-(1H-indol-3-yl)ethyl-(pyridin-4-ylmethyl)azanium chloride has a molecular weight of 287.79 g/mol, XLogP of -1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)ethyl-(pyridin-4-ylmethyl)azanium chloride is sourced from PubChem (CID 44665134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).