N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-propylbutan-1-amine

C17H25FN2 — CID 167205055

IUPACN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-propylbutan-1-amine
SMILESCCCCN(CCC)CCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C17H25FN2/c1-3-5-10-20(9-4-2)11-8-14-13-19-17-7-6-15(18)12-16(14)17/h6-7,12-13,19H,3-5,8-11H2,1-2H3
InChIKeyZTNQRRRUQXYJEF-UHFFFAOYSA-N
MW276.40 g/mol
LogP4.36
Rot. Bonds8

About N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-propylbutan-1-amine

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-propylbutan-1-amine (PubChem CID 167205055) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-propylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-propylbutan-1-amine
PubChem CID167205055
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-propylbutan-1-amine
SMILESCCCCN(CCC)CCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C17H25FN2/c1-3-5-10-20(9-4-2)11-8-14-13-19-17-7-6-15(18)12-16(14)17/h6-7,12-13,19H,3-5,8-11H2,1-2H3
InChIKeyZTNQRRRUQXYJEF-UHFFFAOYSA-N
XLogP4.36
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]propan-1-amine
CID 156836218
N-[3-(5-fluoro-1H-indol-3-yl)propyl]pentan-1-amine
CID 141110811
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-methylbutan-2-amine
CID 166158013
2-[2-(5-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol
CID 169001087
N-ethyl-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine
CID 156836225
N,N-diethyl-2-(6-fluoro-1H-indol-3-yl)ethanamine;hydrochloride
CID 17370
triethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]azanium
CID 170545416
[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl] trifluoromethanesulfonate
CID 10691904
1-[3-(diethylamino)propyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methylguanidine
CID 111972056
2-[5-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylethanamine
CID 54378350
2-(1H-indol-3-yl)ethanamine;N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine
CID 155409418
5-[[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl]oxy]-5-oxopentanoic acid
CID 169222605

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-propylbutan-1-amine?
The IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-propylbutan-1-amine (CID 167205055) is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-propylbutan-1-amine.
What is the SMILES notation for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-propylbutan-1-amine?
The canonical SMILES for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-propylbutan-1-amine is CCCCN(CCC)CCc1c[nH]c2ccc(F)cc12.
What is the InChIKey of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-propylbutan-1-amine?
The InChIKey is ZTNQRRRUQXYJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-3-5-10-20(9-4-2)11-8-14-13-19-17-7-6-15(18)12-16(14)17/h6-7,12-13,19H,3-5,8-11H2,1-2H3.
What are the key properties of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-propylbutan-1-amine?
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-propylbutan-1-amine has a molecular weight of 276.40 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-propylbutan-1-amine is sourced from PubChem (CID 167205055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).