N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine

C13H17FN2 — CID 82494090

IUPACN-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine
SMILESCCNCCc1c(C)[nH]c2ccc(F)cc12
InChIInChI=1S/C13H17FN2/c1-3-15-7-6-11-9(2)16-13-5-4-10(14)8-12(11)13/h4-5,8,15-16H,3,6-7H2,1-2H3
InChIKeyIBEUNNNHFFVPSG-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.77
Rot. Bonds4

About N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine

N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine (PubChem CID 82494090) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine
PubChem CID82494090
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC NameN-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine
SMILESCCNCCc1c(C)[nH]c2ccc(F)cc12
InChIInChI=1S/C13H17FN2/c1-3-15-7-6-11-9(2)16-13-5-4-10(14)8-12(11)13/h4-5,8,15-16H,3,6-7H2,1-2H3
InChIKeyIBEUNNNHFFVPSG-UHFFFAOYSA-N
XLogP2.77
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine
CID 82496893
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine
CID 82496402
N-[(4-ethoxyphenyl)methyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine
CID 45497560
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 45497558
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]pentanamide
CID 113085879
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]prop-2-ene-1-sulfonamide
CID 91956047
2-(6-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine
CID 82496918
N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine
CID 82498821
1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-phenylthiourea
CID 43952983
N-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
CID 65335821
2-(4-chlorophenyl)-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 113085910
N-ethyl-3-(2-methyl-1H-indol-3-yl)propan-1-amine
CID 96658400

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine (CID 82494090) is N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine is CCNCCc1c(C)[nH]c2ccc(F)cc12.
What is the InChIKey of N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine?
The InChIKey is IBEUNNNHFFVPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c1-3-15-7-6-11-9(2)16-13-5-4-10(14)8-12(11)13/h4-5,8,15-16H,3,6-7H2,1-2H3.
What are the key properties of N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine?
N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine has a molecular weight of 220.29 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 82494090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).