N-[2-(5-fluoro-1H-indol-3-yl)ethyl]prop-2-en-1-amine

C13H15FN2 — CID 166157928

IUPACN-[2-(5-fluoro-1H-indol-3-yl)ethyl]prop-2-en-1-amine
SMILESC=CCNCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C13H15FN2/c1-2-6-15-7-5-10-9-16-13-4-3-11(14)8-12(10)13/h2-4,8-9,15-16H,1,5-7H2
InChIKeyZBABDAOKPIRZFZ-UHFFFAOYSA-N
MW218.27 g/mol
LogP2.63
Rot. Bonds5

About N-[2-(5-fluoro-1H-indol-3-yl)ethyl]prop-2-en-1-amine

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]prop-2-en-1-amine (PubChem CID 166157928) has the molecular formula C13H15FN2 and a molecular weight of 218.27 g/mol. Its IUPAC name is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]prop-2-en-1-amine
PubChem CID166157928
Molecular FormulaC13H15FN2
Molecular Weight218.27 g/mol
Exact Mass218.12
IUPAC NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]prop-2-en-1-amine
SMILESC=CCNCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C13H15FN2/c1-2-6-15-7-5-10-9-16-13-4-3-11(14)8-12(10)13/h2-4,8-9,15-16H,1,5-7H2
InChIKeyZBABDAOKPIRZFZ-UHFFFAOYSA-N
XLogP2.63
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[3-(5-fluoro-1H-indol-3-yl)propyl]pentan-1-amine
CID 141110811
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82493570
[2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl acetate
CID 151199307
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
(5-fluoro-1H-indol-3-yl)methanethiol
CID 117175254
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111424366
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(5-fluoro-1H-indol-3-yl)ethanamine
CID 19624897
triethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]azanium
CID 170545416
3-(5-fluoro-1H-indol-3-yl)propanoic acid
CID 10899794
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 110731470
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 110731491

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]prop-2-en-1-amine?
The IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]prop-2-en-1-amine (CID 166157928) is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]prop-2-en-1-amine?
The canonical SMILES for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]prop-2-en-1-amine is C=CCNCCc1c[nH]c2ccc(F)cc12.
What is the InChIKey of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]prop-2-en-1-amine?
The InChIKey is ZBABDAOKPIRZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c1-2-6-15-7-5-10-9-16-13-4-3-11(14)8-12(10)13/h2-4,8-9,15-16H,1,5-7H2.
What are the key properties of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]prop-2-en-1-amine?
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]prop-2-en-1-amine has a molecular weight of 218.27 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 166157928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).