2-(1H-indol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine

C16H19N3 — CID 4215041

IUPAC2-(1H-indol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
SMILESCn1cccc1CNCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H19N3/c1-19-10-4-5-14(19)12-17-9-8-13-11-18-16-7-3-2-6-15(13)16/h2-7,10-11,17-18H,8-9,12H2,1H3
InChIKeyJMDFJNUSALBEDM-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.84
Rot. Bonds5

About 2-(1H-indol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine

2-(1H-indol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine (PubChem CID 4215041) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
PubChem CID4215041
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name2-(1H-indol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
SMILESCn1cccc1CNCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H19N3/c1-19-10-4-5-14(19)12-17-9-8-13-11-18-16-7-3-2-6-15(13)16/h2-7,10-11,17-18H,8-9,12H2,1H3
InChIKeyJMDFJNUSALBEDM-UHFFFAOYSA-N
XLogP2.84
TPSA32.75 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine?
The IUPAC name of 2-(1H-indol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine (CID 4215041) is 2-(1H-indol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine is Cn1cccc1CNCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine?
The InChIKey is JMDFJNUSALBEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-19-10-4-5-14(19)12-17-9-8-13-11-18-16-7-3-2-6-15(13)16/h2-7,10-11,17-18H,8-9,12H2,1H3.
What are the key properties of 2-(1H-indol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine?
2-(1H-indol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine has a molecular weight of 253.35 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine is sourced from PubChem (CID 4215041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).