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

C15H21FN2 — CID 156836218

IUPACN-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]propan-1-amine
SMILESCCCN(CC)CCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C15H21FN2/c1-3-8-18(4-2)9-7-12-11-17-15-6-5-13(16)10-14(12)15/h5-6,10-11,17H,3-4,7-9H2,1-2H3
InChIKeyQONMHCQBCANXJS-UHFFFAOYSA-N
MW248.34 g/mol
LogP3.58
Rot. Bonds6

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

N-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]propan-1-amine (PubChem CID 156836218) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is N-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]propan-1-amine
PubChem CID156836218
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC NameN-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]propan-1-amine
SMILESCCCN(CC)CCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C15H21FN2/c1-3-8-18(4-2)9-7-12-11-17-15-6-5-13(16)10-14(12)15/h5-6,10-11,17H,3-4,7-9H2,1-2H3
InChIKeyQONMHCQBCANXJS-UHFFFAOYSA-N
XLogP3.58
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-propylbutan-1-amine
CID 167205055
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
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
triethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]azanium
CID 170545416
N-ethyl-N-[2-(5,6,7-trifluoro-1H-indol-3-yl)ethyl]propan-1-amine
CID 166157959
1-[3-(diethylamino)propyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methylguanidine
CID 111972056
N-ethyl-N-[2-(5-methoxy-6-methyl-1H-indol-3-yl)ethyl]propan-1-amine
CID 168946991
2-[5-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylethanamine
CID 54378350
N-[3-(5-fluoro-1H-indol-3-yl)propyl]pentan-1-amine
CID 141110811
[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl] trifluoromethanesulfonate
CID 10691904

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]propan-1-amine (CID 156836218) is N-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]propan-1-amine is CCCN(CC)CCc1c[nH]c2ccc(F)cc12.
What is the InChIKey of N-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]propan-1-amine?
The InChIKey is QONMHCQBCANXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c1-3-8-18(4-2)9-7-12-11-17-15-6-5-13(16)10-14(12)15/h5-6,10-11,17H,3-4,7-9H2,1-2H3.
What are the key properties of N-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]propan-1-amine?
N-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]propan-1-amine has a molecular weight of 248.34 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 156836218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).