N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]-2-(1H-indol-3-yl)ethanamine

C19H21FN2O2 — CID 11484260

IUPACN-[2-(5-fluoro-2-methoxyphenoxy)ethyl]-2-(1H-indol-3-yl)ethanamine
SMILESCOc1ccc(F)cc1OCCNCCc1c[nH]c2ccccc12
InChIInChI=1S/C19H21FN2O2/c1-23-18-7-6-15(20)12-19(18)24-11-10-21-9-8-14-13-22-17-5-3-2-4-16(14)17/h2-7,12-13,21-22H,8-11H2,1H3
InChIKeyPDGNKMACWXAEOS-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.53
Rot. Bonds8

About N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]-2-(1H-indol-3-yl)ethanamine

N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]-2-(1H-indol-3-yl)ethanamine (PubChem CID 11484260) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]-2-(1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(5-fluoro-2-methoxyphenoxy)ethyl]-2-(1H-indol-3-yl)ethanamine
PubChem CID11484260
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC NameN-[2-(5-fluoro-2-methoxyphenoxy)ethyl]-2-(1H-indol-3-yl)ethanamine
SMILESCOc1ccc(F)cc1OCCNCCc1c[nH]c2ccccc12
InChIInChI=1S/C19H21FN2O2/c1-23-18-7-6-15(20)12-19(18)24-11-10-21-9-8-14-13-22-17-5-3-2-4-16(14)17/h2-7,12-13,21-22H,8-11H2,1H3
InChIKeyPDGNKMACWXAEOS-UHFFFAOYSA-N
XLogP3.53
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]-2-(1H-indol-3-yl)ethanamine?
The IUPAC name of N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]-2-(1H-indol-3-yl)ethanamine (CID 11484260) is N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]-2-(1H-indol-3-yl)ethanamine.
What is the SMILES notation for N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]-2-(1H-indol-3-yl)ethanamine?
The canonical SMILES for N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]-2-(1H-indol-3-yl)ethanamine is COc1ccc(F)cc1OCCNCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]-2-(1H-indol-3-yl)ethanamine?
The InChIKey is PDGNKMACWXAEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-23-18-7-6-15(20)12-19(18)24-11-10-21-9-8-14-13-22-17-5-3-2-4-16(14)17/h2-7,12-13,21-22H,8-11H2,1H3.
What are the key properties of N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]-2-(1H-indol-3-yl)ethanamine?
N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]-2-(1H-indol-3-yl)ethanamine has a molecular weight of 328.39 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]-2-(1H-indol-3-yl)ethanamine is sourced from PubChem (CID 11484260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).