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

C13H17FN2 — CID 82793147

IUPACN-[2-(4-fluoroindol-1-yl)ethyl]propan-2-amine
SMILESCC(C)NCCn1ccc2c(F)cccc21
InChIInChI=1S/C13H17FN2/c1-10(2)15-7-9-16-8-6-11-12(14)4-3-5-13(11)16/h3-6,8,10,15H,7,9H2,1-2H3
InChIKeyNQVWBPWGWJQBCW-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.78
Rot. Bonds4

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

N-[2-(4-fluoroindol-1-yl)ethyl]propan-2-amine (PubChem CID 82793147) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is N-[2-(4-fluoroindol-1-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(4-fluoroindol-1-yl)ethyl]propan-2-amine
PubChem CID82793147
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC NameN-[2-(4-fluoroindol-1-yl)ethyl]propan-2-amine
SMILESCC(C)NCCn1ccc2c(F)cccc21
InChIInChI=1S/C13H17FN2/c1-10(2)15-7-9-16-8-6-11-12(14)4-3-5-13(11)16/h3-6,8,10,15H,7,9H2,1-2H3
InChIKeyNQVWBPWGWJQBCW-UHFFFAOYSA-N
XLogP2.78
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluoroindol-1-yl)ethyl]-3-methylbutan-2-amine
CID 82793034
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
N-(cyclopentylmethyl)-2-(4-fluoroindol-1-yl)ethanamine
CID 82791538
4-(4-fluoroindol-1-yl)-2-methylbutan-2-ol
CID 82794768
4-fluoro-1-(2-pyrazol-1-ylethyl)indole
CID 82794921
4-fluoro-1-(3-pyrrolidin-1-ylpropyl)indole
CID 82792591
4-fluoro-1-(2-methylpentyl)indole
CID 82793876
5-(4-fluoroindol-1-yl)pentan-1-ol
CID 82791901
4-fluoro-1-(4,4,4-trifluorobutyl)indole
CID 82792819
4-fluoro-1-[2-(trifluoromethoxy)ethyl]indole
CID 82793770

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoroindol-1-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(4-fluoroindol-1-yl)ethyl]propan-2-amine (CID 82793147) is N-[2-(4-fluoroindol-1-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(4-fluoroindol-1-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(4-fluoroindol-1-yl)ethyl]propan-2-amine is CC(C)NCCn1ccc2c(F)cccc21.
What is the InChIKey of N-[2-(4-fluoroindol-1-yl)ethyl]propan-2-amine?
The InChIKey is NQVWBPWGWJQBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c1-10(2)15-7-9-16-8-6-11-12(14)4-3-5-13(11)16/h3-6,8,10,15H,7,9H2,1-2H3.
What are the key properties of N-[2-(4-fluoroindol-1-yl)ethyl]propan-2-amine?
N-[2-(4-fluoroindol-1-yl)ethyl]propan-2-amine has a molecular weight of 220.29 g/mol, XLogP of 2.78, 4 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]propan-2-amine is sourced from PubChem (CID 82793147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).