[2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl acetate

C13H15FN2O2 — CID 151199307

IUPAC[2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl acetate
SMILESCC(=O)OCNCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C13H15FN2O2/c1-9(17)18-8-15-5-4-10-7-16-13-3-2-11(14)6-12(10)13/h2-3,6-7,15-16H,4-5,8H2,1H3
InChIKeyNHZGXASAKHXJKK-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.96
Rot. Bonds5

About [2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl acetate

[2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl acetate (PubChem CID 151199307) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is [2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl acetate.

Molecular Properties

Compound Name[2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl acetate
PubChem CID151199307
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name[2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl acetate
SMILESCC(=O)OCNCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C13H15FN2O2/c1-9(17)18-8-15-5-4-10-7-16-13-3-2-11(14)6-12(10)13/h2-3,6-7,15-16H,4-5,8H2,1H3
InChIKeyNHZGXASAKHXJKK-UHFFFAOYSA-N
XLogP1.96
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
tert-butyl N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]ethyl]carbamate
CID 67394852
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]prop-2-en-1-amine
CID 166157928
3-(5-fluoro-1H-indol-3-yl)propanoic acid
CID 10899794
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111424366
phenyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 69217510
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110731485
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 110731491
2-(5-fluoro-1H-indol-3-yl)-N-(2-methoxyethyl)acetamide
CID 110700233
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxybenzamide
CID 155516405
2-(5-fluoro-1H-indol-3-yl)-N-propylacetamide
CID 110700222
N-(2-aminoethyl)-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 110833777

Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl acetate?
The IUPAC name of [2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl acetate (CID 151199307) is [2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl acetate.
What is the SMILES notation for [2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl acetate?
The canonical SMILES for [2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl acetate is CC(=O)OCNCCc1c[nH]c2ccc(F)cc12.
What is the InChIKey of [2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl acetate?
The InChIKey is NHZGXASAKHXJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-9(17)18-8-15-5-4-10-7-16-13-3-2-11(14)6-12(10)13/h2-3,6-7,15-16H,4-5,8H2,1H3.
What are the key properties of [2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl acetate?
[2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl acetate has a molecular weight of 250.27 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl acetate is sourced from PubChem (CID 151199307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).