N-(1-benzofuran-3-ylmethyl)-2-(1H-indol-3-yl)-N-methylethanamine

C20H20N2O — CID 141098379

IUPACN-(1-benzofuran-3-ylmethyl)-2-(1H-indol-3-yl)-N-methylethanamine
SMILESCN(CCc1c[nH]c2ccccc12)Cc1coc2ccccc12
InChIInChI=1S/C20H20N2O/c1-22(13-16-14-23-20-9-5-3-7-18(16)20)11-10-15-12-21-19-8-4-2-6-17(15)19/h2-9,12,14,21H,10-11,13H2,1H3
InChIKeyZFVPHIGARYBRTD-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.59
Rot. Bonds5

About N-(1-benzofuran-3-ylmethyl)-2-(1H-indol-3-yl)-N-methylethanamine

N-(1-benzofuran-3-ylmethyl)-2-(1H-indol-3-yl)-N-methylethanamine (PubChem CID 141098379) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-2-(1H-indol-3-yl)-N-methylethanamine.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-2-(1H-indol-3-yl)-N-methylethanamine
PubChem CID141098379
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC NameN-(1-benzofuran-3-ylmethyl)-2-(1H-indol-3-yl)-N-methylethanamine
SMILESCN(CCc1c[nH]c2ccccc12)Cc1coc2ccccc12
InChIInChI=1S/C20H20N2O/c1-22(13-16-14-23-20-9-5-3-7-18(16)20)11-10-15-12-21-19-8-4-2-6-17(15)19/h2-9,12,14,21H,10-11,13H2,1H3
InChIKeyZFVPHIGARYBRTD-UHFFFAOYSA-N
XLogP4.59
TPSA32.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(1H-indol-3-yl)ethyl-methylamino]methanol
CID 115229481
N-(chloromethyl)-2-(1H-indol-3-yl)-N-methylethanamine
CID 115263517
N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine
CID 142231865
N-benzyl-2-(1H-indol-3-yl)-N-methylethanamine;formaldehyde;propane;undecane
CID 143452594
N'-(1-benzofuran-3-ylmethyl)-N,N'-dimethylbutane-1,4-diamine
CID 115202069
N-(1-benzofuran-3-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine
CID 80702164
2-(1H-indol-3-yl)ethyl-methylcyanamide
CID 117029366
[3-[2-[[2-(hydroxymethyl)phenyl]methyl-methylamino]ethyl]-1H-indol-5-yl]methanol
CID 168731366
2-(1H-indol-3-yl)-N,N-dimethoxyethanamine
CID 87617375
N'-(1H-indol-3-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 113409137
1-(azetidin-3-yl)-N-(1-benzofuran-3-ylmethyl)-N-methylmethanamine
CID 115207722
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide
CID 82087538

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-2-(1H-indol-3-yl)-N-methylethanamine?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-2-(1H-indol-3-yl)-N-methylethanamine (CID 141098379) is N-(1-benzofuran-3-ylmethyl)-2-(1H-indol-3-yl)-N-methylethanamine.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-2-(1H-indol-3-yl)-N-methylethanamine?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-2-(1H-indol-3-yl)-N-methylethanamine is CN(CCc1c[nH]c2ccccc12)Cc1coc2ccccc12.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-2-(1H-indol-3-yl)-N-methylethanamine?
The InChIKey is ZFVPHIGARYBRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-22(13-16-14-23-20-9-5-3-7-18(16)20)11-10-15-12-21-19-8-4-2-6-17(15)19/h2-9,12,14,21H,10-11,13H2,1H3.
What are the key properties of N-(1-benzofuran-3-ylmethyl)-2-(1H-indol-3-yl)-N-methylethanamine?
N-(1-benzofuran-3-ylmethyl)-2-(1H-indol-3-yl)-N-methylethanamine has a molecular weight of 304.39 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)-2-(1H-indol-3-yl)-N-methylethanamine is sourced from PubChem (CID 141098379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).