2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine

C19H19N3 — CID 17221038

IUPAC2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
SMILESc1ccc2c(CCNCc3cccc4[nH]ccc34)c[nH]c2c1
InChIInChI=1S/C19H19N3/c1-2-6-19-16(5-1)15(13-22-19)8-10-20-12-14-4-3-7-18-17(14)9-11-21-18/h1-7,9,11,13,20-22H,8,10,12H2
InChIKeyJAIAWAOWCKYYLF-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.98
Rot. Bonds5

About 2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine

2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine (PubChem CID 17221038) has the molecular formula C19H19N3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
PubChem CID17221038
Molecular FormulaC19H19N3
Molecular Weight289.38 g/mol
Exact Mass289.16
IUPAC Name2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
SMILESc1ccc2c(CCNCc3cccc4[nH]ccc34)c[nH]c2c1
InChIInChI=1S/C19H19N3/c1-2-6-19-16(5-1)15(13-22-19)8-10-20-12-14-4-3-7-18-17(14)9-11-21-18/h1-7,9,11,13,20-22H,8,10,12H2
InChIKeyJAIAWAOWCKYYLF-UHFFFAOYSA-N
XLogP3.98
TPSA43.61 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine;hydrochloride
CID 6458900
2-(1H-indol-4-ylmethylamino)ethanol
CID 53269747
2-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66407834
[2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol
CID 71385029
2-(1H-indol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 59506885
2-(1H-indol-3-yl)-N-[(2-nitrophenyl)methyl]ethanamine;hydrobromide
CID 75531274
N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride
CID 46736403
2-(1H-imidazol-5-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 64988316
N-(1H-indol-4-ylmethyl)-2-(3-methylphenyl)ethanamine
CID 63002267
2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 4719995
N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid
CID 17367556
2-(1H-indol-3-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 2248968

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine?
The IUPAC name of 2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine (CID 17221038) is 2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine?
The canonical SMILES for 2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine is c1ccc2c(CCNCc3cccc4[nH]ccc34)c[nH]c2c1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine?
The InChIKey is JAIAWAOWCKYYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3/c1-2-6-19-16(5-1)15(13-22-19)8-10-20-12-14-4-3-7-18-17(14)9-11-21-18/h1-7,9,11,13,20-22H,8,10,12H2.
What are the key properties of 2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine?
2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine has a molecular weight of 289.38 g/mol, XLogP of 3.98, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine is sourced from PubChem (CID 17221038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).