N-ethyl-1-(6-fluoroindolizin-1-yl)-N-methylbutan-2-amine

C15H21FN2 — CID 169202930

IUPACN-ethyl-1-(6-fluoroindolizin-1-yl)-N-methylbutan-2-amine
SMILESCCC(Cc1ccn2cc(F)ccc12)N(C)CC
InChIInChI=1S/C15H21FN2/c1-4-14(17(3)5-2)10-12-8-9-18-11-13(16)6-7-15(12)18/h6-9,11,14H,4-5,10H2,1-3H3
InChIKeyDJPKNCZGAPRIIZ-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.35
Rot. Bonds5

About N-ethyl-1-(6-fluoroindolizin-1-yl)-N-methylbutan-2-amine

N-ethyl-1-(6-fluoroindolizin-1-yl)-N-methylbutan-2-amine (PubChem CID 169202930) has the molecular formula C15H21FN2 and a molecular weight of 248.35 g/mol. Its IUPAC name is N-ethyl-1-(6-fluoroindolizin-1-yl)-N-methylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(6-fluoroindolizin-1-yl)-N-methylbutan-2-amine
PubChem CID169202930
Molecular FormulaC15H21FN2
Molecular Weight248.35 g/mol
Exact Mass248.17
IUPAC NameN-ethyl-1-(6-fluoroindolizin-1-yl)-N-methylbutan-2-amine
SMILESCCC(Cc1ccn2cc(F)ccc12)N(C)CC
InChIInChI=1S/C15H21FN2/c1-4-14(17(3)5-2)10-12-8-9-18-11-13(16)6-7-15(12)18/h6-9,11,14H,4-5,10H2,1-3H3
InChIKeyDJPKNCZGAPRIIZ-UHFFFAOYSA-N
XLogP3.35
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(8-methoxyindolizin-1-yl)-N-methylbutan-2-amine
CID 169203291
2-N-[(4-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine
CID 61413577
N-ethyl-1-(7-methoxyindolizin-1-yl)-N-methylpropan-2-amine
CID 169203165
(2S)-2-amino-N-[1-(6-methoxyindolizin-1-yl)propan-2-yl]-N-methylpropanamide
CID 176624510
N-[(4-fluorophenyl)methyl]-N-silylpentan-3-amine
CID 174248167
1-[2-[ethyl(methyl)amino]propyl]indolizin-8-ol
CID 169202967
1-chloro-N-ethyl-N-methylbutan-2-amine
CID 130629325
4-fluoro-2-[[methyl(pentan-3-yl)amino]methyl]benzoic acid
CID 114014609
N-[(3-bromo-5-fluorophenyl)methyl]-N-methylpentan-3-amine
CID 79706560
2-[(4-fluorophenyl)methyl-methylamino]propan-1-ol
CID 112701198
5-fluoro-2-[[methyl(pentan-3-yl)amino]methyl]benzenecarboximidamide
CID 63290840
2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 62569276

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(6-fluoroindolizin-1-yl)-N-methylbutan-2-amine?
The IUPAC name of N-ethyl-1-(6-fluoroindolizin-1-yl)-N-methylbutan-2-amine (CID 169202930) is N-ethyl-1-(6-fluoroindolizin-1-yl)-N-methylbutan-2-amine.
What is the SMILES notation for N-ethyl-1-(6-fluoroindolizin-1-yl)-N-methylbutan-2-amine?
The canonical SMILES for N-ethyl-1-(6-fluoroindolizin-1-yl)-N-methylbutan-2-amine is CCC(Cc1ccn2cc(F)ccc12)N(C)CC.
What is the InChIKey of N-ethyl-1-(6-fluoroindolizin-1-yl)-N-methylbutan-2-amine?
The InChIKey is DJPKNCZGAPRIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c1-4-14(17(3)5-2)10-12-8-9-18-11-13(16)6-7-15(12)18/h6-9,11,14H,4-5,10H2,1-3H3.
What are the key properties of N-ethyl-1-(6-fluoroindolizin-1-yl)-N-methylbutan-2-amine?
N-ethyl-1-(6-fluoroindolizin-1-yl)-N-methylbutan-2-amine has a molecular weight of 248.35 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(6-fluoroindolizin-1-yl)-N-methylbutan-2-amine is sourced from PubChem (CID 169202930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).