N,N-dibenzyl-2-(5-ethyl-1H-indol-3-yl)ethanamine

C26H28N2 — CID 175502813

IUPACN,N-dibenzyl-2-(5-ethyl-1H-indol-3-yl)ethanamine
SMILESCCc1ccc2[nH]cc(CCN(Cc3ccccc3)Cc3ccccc3)c2c1
InChIInChI=1S/C26H28N2/c1-2-21-13-14-26-25(17-21)24(18-27-26)15-16-28(19-22-9-5-3-6-10-22)20-23-11-7-4-8-12-23/h3-14,17-18,27H,2,15-16,19-20H2,1H3
InChIKeyIBFBDJZHJHCMSJ-UHFFFAOYSA-N
MW368.52 g/mol
LogP5.98
Rot. Bonds8

About N,N-dibenzyl-2-(5-ethyl-1H-indol-3-yl)ethanamine

N,N-dibenzyl-2-(5-ethyl-1H-indol-3-yl)ethanamine (PubChem CID 175502813) has the molecular formula C26H28N2 and a molecular weight of 368.52 g/mol. Its IUPAC name is N,N-dibenzyl-2-(5-ethyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN,N-dibenzyl-2-(5-ethyl-1H-indol-3-yl)ethanamine
PubChem CID175502813
Molecular FormulaC26H28N2
Molecular Weight368.52 g/mol
Exact Mass368.23
IUPAC NameN,N-dibenzyl-2-(5-ethyl-1H-indol-3-yl)ethanamine
SMILESCCc1ccc2[nH]cc(CCN(Cc3ccccc3)Cc3ccccc3)c2c1
InChIInChI=1S/C26H28N2/c1-2-21-13-14-26-25(17-21)24(18-27-26)15-16-28(19-22-9-5-3-6-10-22)20-23-11-7-4-8-12-23/h3-14,17-18,27H,2,15-16,19-20H2,1H3
InChIKeyIBFBDJZHJHCMSJ-UHFFFAOYSA-N
XLogP5.98
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-2-(1H-indol-3-yl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 138903568
2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]ethanol
CID 59737412
N,N-bis(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)ethanamine
CID 53494673
2-[5-(2-phenylethyl)-1H-indol-3-yl]ethanamine
CID 22419950
[3-[2-[[2-(hydroxymethyl)phenyl]methyl-methylamino]ethyl]-1H-indol-5-yl]methanol
CID 168731366
1-(5-ethyl-1H-indol-3-yl)-N-methylmethanamine
CID 82490825
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849
1-[2-(5-ethyl-1H-indol-3-yl)ethyl]cyclopropan-1-amine
CID 105486018
2-[benzyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]ethyl N-tert-butylcarbamate
CID 174634033
1,1-dideuterio-N-(1,1-dideuterioethyl)-N-[2-(1H-indol-3-yl)ethyl]propan-1-amine
CID 162773405
N-benzyl-2-(1H-indol-3-yl)-N-methylethanamine;formaldehyde;propane;undecane
CID 143452594
methyl-[(5-propyl-1H-indol-3-yl)methyl]carbamic acid
CID 143093379

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-(5-ethyl-1H-indol-3-yl)ethanamine?
The IUPAC name of N,N-dibenzyl-2-(5-ethyl-1H-indol-3-yl)ethanamine (CID 175502813) is N,N-dibenzyl-2-(5-ethyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for N,N-dibenzyl-2-(5-ethyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for N,N-dibenzyl-2-(5-ethyl-1H-indol-3-yl)ethanamine is CCc1ccc2[nH]cc(CCN(Cc3ccccc3)Cc3ccccc3)c2c1.
What is the InChIKey of N,N-dibenzyl-2-(5-ethyl-1H-indol-3-yl)ethanamine?
The InChIKey is IBFBDJZHJHCMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2/c1-2-21-13-14-26-25(17-21)24(18-27-26)15-16-28(19-22-9-5-3-6-10-22)20-23-11-7-4-8-12-23/h3-14,17-18,27H,2,15-16,19-20H2,1H3.
What are the key properties of N,N-dibenzyl-2-(5-ethyl-1H-indol-3-yl)ethanamine?
N,N-dibenzyl-2-(5-ethyl-1H-indol-3-yl)ethanamine has a molecular weight of 368.52 g/mol, XLogP of 5.98, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-(5-ethyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 175502813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).