3-(5-fluoro-1H-indol-3-yl)-N-(2-phenoxyethyl)propan-1-amine

C19H21FN2O — CID 54296648

IUPAC3-(5-fluoro-1H-indol-3-yl)-N-(2-phenoxyethyl)propan-1-amine
SMILESFc1ccc2[nH]cc(CCCNCCOc3ccccc3)c2c1
InChIInChI=1S/C19H21FN2O/c20-16-8-9-19-18(13-16)15(14-22-19)5-4-10-21-11-12-23-17-6-2-1-3-7-17/h1-3,6-9,13-14,21-22H,4-5,10-12H2
InChIKeySBFWLGINQFNKPW-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.91
Rot. Bonds8

About 3-(5-fluoro-1H-indol-3-yl)-N-(2-phenoxyethyl)propan-1-amine

3-(5-fluoro-1H-indol-3-yl)-N-(2-phenoxyethyl)propan-1-amine (PubChem CID 54296648) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-(5-fluoro-1H-indol-3-yl)-N-(2-phenoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-(5-fluoro-1H-indol-3-yl)-N-(2-phenoxyethyl)propan-1-amine
PubChem CID54296648
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name3-(5-fluoro-1H-indol-3-yl)-N-(2-phenoxyethyl)propan-1-amine
SMILESFc1ccc2[nH]cc(CCCNCCOc3ccccc3)c2c1
InChIInChI=1S/C19H21FN2O/c20-16-8-9-19-18(13-16)15(14-22-19)5-4-10-21-11-12-23-17-6-2-1-3-7-17/h1-3,6-9,13-14,21-22H,4-5,10-12H2
InChIKeySBFWLGINQFNKPW-UHFFFAOYSA-N
XLogP3.91
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Methoxytryptamine
CID 1833
O-Methylbufotenine
CID 1832
Idalopirdine
CID 21071390
Bucindolol
CID 51045
5-Methoxy-N,N-Diisopropyltryptamine
CID 151182
5-Methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1H indole
CID 108029
Indoxyl acetate
CID 11841
5-Methoxyindole
CID 13872
5-Methoxy-N,N-dimethyl-1H-indole-3-methanamine
CID 27965
5-(Benzyloxy)tryptamine
CID 89576
5-MeO-DALT
CID 50878551
1H-Indole-3-ethanamine, 5-methoxy-, hydrochloride (1:?)
CID 6198

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1H-indol-3-yl)-N-(2-phenoxyethyl)propan-1-amine?
The IUPAC name of 3-(5-fluoro-1H-indol-3-yl)-N-(2-phenoxyethyl)propan-1-amine (CID 54296648) is 3-(5-fluoro-1H-indol-3-yl)-N-(2-phenoxyethyl)propan-1-amine.
What is the SMILES notation for 3-(5-fluoro-1H-indol-3-yl)-N-(2-phenoxyethyl)propan-1-amine?
The canonical SMILES for 3-(5-fluoro-1H-indol-3-yl)-N-(2-phenoxyethyl)propan-1-amine is Fc1ccc2[nH]cc(CCCNCCOc3ccccc3)c2c1.
What is the InChIKey of 3-(5-fluoro-1H-indol-3-yl)-N-(2-phenoxyethyl)propan-1-amine?
The InChIKey is SBFWLGINQFNKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c20-16-8-9-19-18(13-16)15(14-22-19)5-4-10-21-11-12-23-17-6-2-1-3-7-17/h1-3,6-9,13-14,21-22H,4-5,10-12H2.
What are the key properties of 3-(5-fluoro-1H-indol-3-yl)-N-(2-phenoxyethyl)propan-1-amine?
3-(5-fluoro-1H-indol-3-yl)-N-(2-phenoxyethyl)propan-1-amine has a molecular weight of 312.39 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1H-indol-3-yl)-N-(2-phenoxyethyl)propan-1-amine is sourced from PubChem (CID 54296648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).