N-[[2-(1H-indol-5-ylmethyl)phenyl]methyl]ethanamine

C18H20N2 — CID 44609869

IUPACN-[[2-(1H-indol-5-ylmethyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C18H20N2/c1-2-19-13-17-6-4-3-5-15(17)11-14-7-8-18-16(12-14)9-10-20-18/h3-10,12,19-20H,2,11,13H2,1H3
InChIKeySLSURZSDXOBEDD-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.87
Rot. Bonds5

About N-[[2-(1H-indol-5-ylmethyl)phenyl]methyl]ethanamine

N-[[2-(1H-indol-5-ylmethyl)phenyl]methyl]ethanamine (PubChem CID 44609869) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[[2-(1H-indol-5-ylmethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1H-indol-5-ylmethyl)phenyl]methyl]ethanamine
PubChem CID44609869
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC NameN-[[2-(1H-indol-5-ylmethyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C18H20N2/c1-2-19-13-17-6-4-3-5-15(17)11-14-7-8-18-16(12-14)9-10-20-18/h3-10,12,19-20H,2,11,13H2,1H3
InChIKeySLSURZSDXOBEDD-UHFFFAOYSA-N
XLogP3.87
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1H-indol-5-ylmethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(1H-indol-5-ylmethyl)phenyl]methyl]ethanamine (CID 44609869) is N-[[2-(1H-indol-5-ylmethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1H-indol-5-ylmethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1H-indol-5-ylmethyl)phenyl]methyl]ethanamine is CCNCc1ccccc1Cc1ccc2[nH]ccc2c1.
What is the InChIKey of N-[[2-(1H-indol-5-ylmethyl)phenyl]methyl]ethanamine?
The InChIKey is SLSURZSDXOBEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-2-19-13-17-6-4-3-5-15(17)11-14-7-8-18-16(12-14)9-10-20-18/h3-10,12,19-20H,2,11,13H2,1H3.
What are the key properties of N-[[2-(1H-indol-5-ylmethyl)phenyl]methyl]ethanamine?
N-[[2-(1H-indol-5-ylmethyl)phenyl]methyl]ethanamine has a molecular weight of 264.37 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1H-indol-5-ylmethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 44609869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).