[4-fluoro-1-(3-methoxypropyl)indol-2-yl]methanamine

C13H17FN2O — CID 143288892

IUPAC[4-fluoro-1-(3-methoxypropyl)indol-2-yl]methanamine
SMILESCOCCCn1c(CN)cc2c(F)cccc21
InChIInChI=1S/C13H17FN2O/c1-17-7-3-6-16-10(9-15)8-11-12(14)4-2-5-13(11)16/h2,4-5,8H,3,6-7,9,15H2,1H3
InChIKeyGDWSSWZBOGMXIE-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.28
Rot. Bonds5

About [4-fluoro-1-(3-methoxypropyl)indol-2-yl]methanamine

[4-fluoro-1-(3-methoxypropyl)indol-2-yl]methanamine (PubChem CID 143288892) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is [4-fluoro-1-(3-methoxypropyl)indol-2-yl]methanamine.

Molecular Properties

Compound Name[4-fluoro-1-(3-methoxypropyl)indol-2-yl]methanamine
PubChem CID143288892
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name[4-fluoro-1-(3-methoxypropyl)indol-2-yl]methanamine
SMILESCOCCCn1c(CN)cc2c(F)cccc21
InChIInChI=1S/C13H17FN2O/c1-17-7-3-6-16-10(9-15)8-11-12(14)4-2-5-13(11)16/h2,4-5,8H,3,6-7,9,15H2,1H3
InChIKeyGDWSSWZBOGMXIE-UHFFFAOYSA-N
XLogP2.28
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
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 [4-fluoro-1-(3-methoxypropyl)indol-2-yl]methanamine?
The IUPAC name of [4-fluoro-1-(3-methoxypropyl)indol-2-yl]methanamine (CID 143288892) is [4-fluoro-1-(3-methoxypropyl)indol-2-yl]methanamine.
What is the SMILES notation for [4-fluoro-1-(3-methoxypropyl)indol-2-yl]methanamine?
The canonical SMILES for [4-fluoro-1-(3-methoxypropyl)indol-2-yl]methanamine is COCCCn1c(CN)cc2c(F)cccc21.
What is the InChIKey of [4-fluoro-1-(3-methoxypropyl)indol-2-yl]methanamine?
The InChIKey is GDWSSWZBOGMXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-17-7-3-6-16-10(9-15)8-11-12(14)4-2-5-13(11)16/h2,4-5,8H,3,6-7,9,15H2,1H3.
What are the key properties of [4-fluoro-1-(3-methoxypropyl)indol-2-yl]methanamine?
[4-fluoro-1-(3-methoxypropyl)indol-2-yl]methanamine has a molecular weight of 236.29 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-1-(3-methoxypropyl)indol-2-yl]methanamine is sourced from PubChem (CID 143288892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).