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

C15H21FN2 — CID 166158013

IUPACN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-methylbutan-2-amine
SMILESCCC(C)N(C)CCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C15H21FN2/c1-4-11(2)18(3)8-7-12-10-17-15-6-5-13(16)9-14(12)15/h5-6,9-11,17H,4,7-8H2,1-3H3
InChIKeyZMPXIAOVWAHQGP-UHFFFAOYSA-N
MW248.34 g/mol
LogP3.58
Rot. Bonds5

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

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-methylbutan-2-amine (PubChem CID 166158013) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-methylbutan-2-amine.

Molecular Properties

Compound NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-methylbutan-2-amine
PubChem CID166158013
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-methylbutan-2-amine
SMILESCCC(C)N(C)CCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C15H21FN2/c1-4-11(2)18(3)8-7-12-10-17-15-6-5-13(16)9-14(12)15/h5-6,9-11,17H,4,7-8H2,1-3H3
InChIKeyZMPXIAOVWAHQGP-UHFFFAOYSA-N
XLogP3.58
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]propan-1-amine
CID 156836218
2-[2-(5-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol
CID 169001087
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-propylbutan-1-amine
CID 167205055
2-[5-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylethanamine
CID 54378350
triethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]azanium
CID 170545416
[(2S)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]azanium
CID 6921756
1-(5-fluoro-1H-indol-3-yl)butan-2-amine
CID 118713118
CID 58748813
CID 58748813
N,N-diethyl-2-(6-fluoro-1H-indol-3-yl)ethanamine;hydrochloride
CID 17370
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide
CID 111972663
N-[(5-fluoro-1H-indol-3-yl)methyl]propan-2-amine
CID 83776084
1-(5-fluoro-1H-indol-3-yl)-N-methylpropan-2-amine
CID 117195576

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-methylbutan-2-amine?
The IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-methylbutan-2-amine (CID 166158013) is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-methylbutan-2-amine.
What is the SMILES notation for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-methylbutan-2-amine?
The canonical SMILES for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-methylbutan-2-amine is CCC(C)N(C)CCc1c[nH]c2ccc(F)cc12.
What is the InChIKey of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-methylbutan-2-amine?
The InChIKey is ZMPXIAOVWAHQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c1-4-11(2)18(3)8-7-12-10-17-15-6-5-13(16)9-14(12)15/h5-6,9-11,17H,4,7-8H2,1-3H3.
What are the key properties of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-methylbutan-2-amine?
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-methylbutan-2-amine has a molecular weight of 248.34 g/mol, XLogP of 3.58, 5 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-methylbutan-2-amine is sourced from PubChem (CID 166158013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).