2-[benzyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]ethyl N-tert-butylcarbamate

C24H30FN3O2 — CID 174634033

IUPAC2-[benzyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]ethyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCN(CCc1c[nH]c2ccc(F)cc12)Cc1ccccc1
InChIInChI=1S/C24H30FN3O2/c1-24(2,3)27-23(29)30-14-13-28(17-18-7-5-4-6-8-18)12-11-19-16-26-22-10-9-20(25)15-21(19)22/h4-10,15-16,26H,11-14,17H2,1-3H3,(H,27,29)
InChIKeyOUDARIDZVGFTLF-UHFFFAOYSA-N
MW411.52 g/mol
LogP4.88
Rot. Bonds8

About 2-[benzyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]ethyl N-tert-butylcarbamate

2-[benzyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]ethyl N-tert-butylcarbamate (PubChem CID 174634033) has the molecular formula C24H30FN3O2 and a molecular weight of 411.52 g/mol. Its IUPAC name is 2-[benzyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]ethyl N-tert-butylcarbamate.

Molecular Properties

Compound Name2-[benzyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]ethyl N-tert-butylcarbamate
PubChem CID174634033
Molecular FormulaC24H30FN3O2
Molecular Weight411.52 g/mol
Exact Mass411.23
IUPAC Name2-[benzyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]ethyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCN(CCc1c[nH]c2ccc(F)cc12)Cc1ccccc1
InChIInChI=1S/C24H30FN3O2/c1-24(2,3)27-23(29)30-14-13-28(17-18-7-5-4-6-8-18)12-11-19-16-26-22-10-9-20(25)15-21(19)22/h4-10,15-16,26H,11-14,17H2,1-3H3,(H,27,29)
InChIKeyOUDARIDZVGFTLF-UHFFFAOYSA-N
XLogP4.88
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibenzyl-2-(5-ethyl-1H-indol-3-yl)ethanamine
CID 175502813
phenyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 69217510
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
N-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]propan-1-amine
CID 156836218
2-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]ethyl N-[2-(1H-indol-3-yl)ethyl]carbamate
CID 20579304
3-(5-fluoro-1H-indol-3-yl)propanoic acid
CID 10899794
tert-butyl N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]ethyl]carbamate
CID 67394852
(2,4-difluorophenyl)methyl N-[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
CID 57261981
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-propylbutan-1-amine
CID 167205055
3-benzyl-5-(5-fluoro-1H-indol-3-yl)pentan-1-amine
CID 67394553
[2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl acetate
CID 151199307
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 110731491

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]ethyl N-tert-butylcarbamate?
The IUPAC name of 2-[benzyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]ethyl N-tert-butylcarbamate (CID 174634033) is 2-[benzyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]ethyl N-tert-butylcarbamate.
What is the SMILES notation for 2-[benzyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]ethyl N-tert-butylcarbamate?
The canonical SMILES for 2-[benzyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]ethyl N-tert-butylcarbamate is CC(C)(C)NC(=O)OCCN(CCc1c[nH]c2ccc(F)cc12)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]ethyl N-tert-butylcarbamate?
The InChIKey is OUDARIDZVGFTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O2/c1-24(2,3)27-23(29)30-14-13-28(17-18-7-5-4-6-8-18)12-11-19-16-26-22-10-9-20(25)15-21(19)22/h4-10,15-16,26H,11-14,17H2,1-3H3,(H,27,29).
What are the key properties of 2-[benzyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]ethyl N-tert-butylcarbamate?
2-[benzyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]ethyl N-tert-butylcarbamate has a molecular weight of 411.52 g/mol, XLogP of 4.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]ethyl N-tert-butylcarbamate is sourced from PubChem (CID 174634033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).