N-[2-(4-fluoroindol-1-yl)ethyl]-3-methylbutan-2-amine

C15H21FN2 — CID 82793034

IUPACN-[2-(4-fluoroindol-1-yl)ethyl]-3-methylbutan-2-amine
SMILESCC(C)C(C)NCCn1ccc2c(F)cccc21
InChIInChI=1S/C15H21FN2/c1-11(2)12(3)17-8-10-18-9-7-13-14(16)5-4-6-15(13)18/h4-7,9,11-12,17H,8,10H2,1-3H3
InChIKeyXTHLKLLMJPNLIH-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.41
Rot. Bonds5

About N-[2-(4-fluoroindol-1-yl)ethyl]-3-methylbutan-2-amine

N-[2-(4-fluoroindol-1-yl)ethyl]-3-methylbutan-2-amine (PubChem CID 82793034) has the molecular formula C15H21FN2 and a molecular weight of 248.35 g/mol. Its IUPAC name is N-[2-(4-fluoroindol-1-yl)ethyl]-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[2-(4-fluoroindol-1-yl)ethyl]-3-methylbutan-2-amine
PubChem CID82793034
Molecular FormulaC15H21FN2
Molecular Weight248.35 g/mol
Exact Mass248.17
IUPAC NameN-[2-(4-fluoroindol-1-yl)ethyl]-3-methylbutan-2-amine
SMILESCC(C)C(C)NCCn1ccc2c(F)cccc21
InChIInChI=1S/C15H21FN2/c1-11(2)12(3)17-8-10-18-9-7-13-14(16)5-4-6-15(13)18/h4-7,9,11-12,17H,8,10H2,1-3H3
InChIKeyXTHLKLLMJPNLIH-UHFFFAOYSA-N
XLogP3.41
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluoroindol-1-yl)ethyl]propan-2-amine
CID 82793147
3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-2-amine
CID 83164736
N-[2-(4-fluoroindol-1-yl)ethyl]butan-1-amine
CID 82791993
2-(4-fluoroindol-1-yl)-N-(2-methoxyethyl)ethanamine
CID 82792809
3-(4-fluoroindol-1-yl)-N-propylpropan-1-amine
CID 82791789
4-(4-fluoroindol-1-yl)-2-methylbutan-2-ol
CID 82794768
4-fluoro-1-(2-pyrazol-1-ylethyl)indole
CID 82794921
N-(cyclopentylmethyl)-2-(4-fluoroindol-1-yl)ethanamine
CID 82791538
4-fluoro-1-(2-methylpentyl)indole
CID 82793876
4-fluoro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole
CID 82792719
1-[(4-ethylphenyl)methyl]-4-fluoroindole
CID 82792470
4-fluoro-1-(4,4,4-trifluorobutyl)indole
CID 82792819

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoroindol-1-yl)ethyl]-3-methylbutan-2-amine?
The IUPAC name of N-[2-(4-fluoroindol-1-yl)ethyl]-3-methylbutan-2-amine (CID 82793034) is N-[2-(4-fluoroindol-1-yl)ethyl]-3-methylbutan-2-amine.
What is the SMILES notation for N-[2-(4-fluoroindol-1-yl)ethyl]-3-methylbutan-2-amine?
The canonical SMILES for N-[2-(4-fluoroindol-1-yl)ethyl]-3-methylbutan-2-amine is CC(C)C(C)NCCn1ccc2c(F)cccc21.
What is the InChIKey of N-[2-(4-fluoroindol-1-yl)ethyl]-3-methylbutan-2-amine?
The InChIKey is XTHLKLLMJPNLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c1-11(2)12(3)17-8-10-18-9-7-13-14(16)5-4-6-15(13)18/h4-7,9,11-12,17H,8,10H2,1-3H3.
What are the key properties of N-[2-(4-fluoroindol-1-yl)ethyl]-3-methylbutan-2-amine?
N-[2-(4-fluoroindol-1-yl)ethyl]-3-methylbutan-2-amine has a molecular weight of 248.35 g/mol, XLogP of 3.41, 5 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]-3-methylbutan-2-amine is sourced from PubChem (CID 82793034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).