N-[2-(4-fluoroindol-1-yl)ethyl]butan-1-amine

C14H19FN2 — CID 82791993

IUPACN-[2-(4-fluoroindol-1-yl)ethyl]butan-1-amine
SMILESCCCCNCCn1ccc2c(F)cccc21
InChIInChI=1S/C14H19FN2/c1-2-3-8-16-9-11-17-10-7-12-13(15)5-4-6-14(12)17/h4-7,10,16H,2-3,8-9,11H2,1H3
InChIKeyVAPMGHUDIUOWBW-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.17
Rot. Bonds6

About N-[2-(4-fluoroindol-1-yl)ethyl]butan-1-amine

N-[2-(4-fluoroindol-1-yl)ethyl]butan-1-amine (PubChem CID 82791993) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is N-[2-(4-fluoroindol-1-yl)ethyl]butan-1-amine.

Molecular Properties

Compound NameN-[2-(4-fluoroindol-1-yl)ethyl]butan-1-amine
PubChem CID82791993
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC NameN-[2-(4-fluoroindol-1-yl)ethyl]butan-1-amine
SMILESCCCCNCCn1ccc2c(F)cccc21
InChIInChI=1S/C14H19FN2/c1-2-3-8-16-9-11-17-10-7-12-13(15)5-4-6-14(12)17/h4-7,10,16H,2-3,8-9,11H2,1H3
InChIKeyVAPMGHUDIUOWBW-UHFFFAOYSA-N
XLogP3.17
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluoroindol-1-yl)-N-propylpropan-1-amine
CID 82791789
2-(4-fluoroindol-1-yl)-N-(2-methoxyethyl)ethanamine
CID 82792809
N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine
CID 83163508
N-[2-(4-fluoroindol-1-yl)ethyl]propan-2-amine
CID 82793147
N-[2-(4-fluoroindol-1-yl)ethyl]-3-methylbutan-2-amine
CID 82793034
N-(cyclopentylmethyl)-2-(4-fluoroindol-1-yl)ethanamine
CID 82791538
4-fluoro-1-(2-pyrazol-1-ylethyl)indole
CID 82794921
4-fluoro-1-(4,4,4-trifluorobutyl)indole
CID 82792819
5-(4-fluoroindol-1-yl)pentan-1-ol
CID 82791901
4-(4-fluoroindol-1-yl)-2-methylbutan-2-ol
CID 82794768
N-ethyl-3-(4-methylindol-1-yl)propan-1-amine
CID 62562010
4-fluoro-1-(3-pyrrolidin-1-ylpropyl)indole
CID 82792591

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoroindol-1-yl)ethyl]butan-1-amine?
The IUPAC name of N-[2-(4-fluoroindol-1-yl)ethyl]butan-1-amine (CID 82791993) is N-[2-(4-fluoroindol-1-yl)ethyl]butan-1-amine.
What is the SMILES notation for N-[2-(4-fluoroindol-1-yl)ethyl]butan-1-amine?
The canonical SMILES for N-[2-(4-fluoroindol-1-yl)ethyl]butan-1-amine is CCCCNCCn1ccc2c(F)cccc21.
What is the InChIKey of N-[2-(4-fluoroindol-1-yl)ethyl]butan-1-amine?
The InChIKey is VAPMGHUDIUOWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c1-2-3-8-16-9-11-17-10-7-12-13(15)5-4-6-14(12)17/h4-7,10,16H,2-3,8-9,11H2,1H3.
What are the key properties of N-[2-(4-fluoroindol-1-yl)ethyl]butan-1-amine?
N-[2-(4-fluoroindol-1-yl)ethyl]butan-1-amine has a molecular weight of 234.32 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoroindol-1-yl)ethyl]butan-1-amine is sourced from PubChem (CID 82791993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).