N-ethyl-2-[1-(ethylamino)ethyl]-3-fluoro-N-propylaniline

C15H25FN2 — CID 43284613

IUPACN-ethyl-2-[1-(ethylamino)ethyl]-3-fluoro-N-propylaniline
SMILESCCCN(CC)c1cccc(F)c1C(C)NCC
InChIInChI=1S/C15H25FN2/c1-5-11-18(7-3)14-10-8-9-13(16)15(14)12(4)17-6-2/h8-10,12,17H,5-7,11H2,1-4H3
InChIKeyXZEHLEPGTFQBOV-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.73
Rot. Bonds7

About N-ethyl-2-[1-(ethylamino)ethyl]-3-fluoro-N-propylaniline

N-ethyl-2-[1-(ethylamino)ethyl]-3-fluoro-N-propylaniline (PubChem CID 43284613) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is N-ethyl-2-[1-(ethylamino)ethyl]-3-fluoro-N-propylaniline.

Molecular Properties

Compound NameN-ethyl-2-[1-(ethylamino)ethyl]-3-fluoro-N-propylaniline
PubChem CID43284613
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC NameN-ethyl-2-[1-(ethylamino)ethyl]-3-fluoro-N-propylaniline
SMILESCCCN(CC)c1cccc(F)c1C(C)NCC
InChIInChI=1S/C15H25FN2/c1-5-11-18(7-3)14-10-8-9-13(16)15(14)12(4)17-6-2/h8-10,12,17H,5-7,11H2,1-4H3
InChIKeyXZEHLEPGTFQBOV-UHFFFAOYSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-fluoro-N-(2-methoxyethyl)-2-[1-(propylamino)ethyl]aniline
CID 61446087
N-(2-ethoxyethyl)-N-ethyl-3-fluoro-2-[1-(methylamino)ethyl]aniline
CID 63697732
5-[2-[1-(ethylamino)ethyl]-3-fluoro-N-methylanilino]pentan-1-ol
CID 107200509
N-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-3-fluoro-N-methylaniline
CID 43569241
(1R)-1-[2-[ethyl(2-hydroxyethyl)amino]-6-fluorophenyl]ethanol
CID 63371083
N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 24691254
2-[3-fluoro-2-(1-hydroxyethyl)-N-propylanilino]-N-methylacetamide
CID 54984732
(1S)-1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol
CID 55183941
2-[1-(ethylamino)ethyl]-3-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
CID 61426442
N-ethyl-3-fluoro-2-[1-(methylamino)ethyl]-N-propan-2-ylaniline
CID 43284569
N-[(5-bromothiophen-3-yl)methyl]-2-[1-(ethylamino)ethyl]-3-fluoro-N-methylaniline
CID 63532085
3-fluoro-N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 63009989

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-(ethylamino)ethyl]-3-fluoro-N-propylaniline?
The IUPAC name of N-ethyl-2-[1-(ethylamino)ethyl]-3-fluoro-N-propylaniline (CID 43284613) is N-ethyl-2-[1-(ethylamino)ethyl]-3-fluoro-N-propylaniline.
What is the SMILES notation for N-ethyl-2-[1-(ethylamino)ethyl]-3-fluoro-N-propylaniline?
The canonical SMILES for N-ethyl-2-[1-(ethylamino)ethyl]-3-fluoro-N-propylaniline is CCCN(CC)c1cccc(F)c1C(C)NCC.
What is the InChIKey of N-ethyl-2-[1-(ethylamino)ethyl]-3-fluoro-N-propylaniline?
The InChIKey is XZEHLEPGTFQBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-5-11-18(7-3)14-10-8-9-13(16)15(14)12(4)17-6-2/h8-10,12,17H,5-7,11H2,1-4H3.
What are the key properties of N-ethyl-2-[1-(ethylamino)ethyl]-3-fluoro-N-propylaniline?
N-ethyl-2-[1-(ethylamino)ethyl]-3-fluoro-N-propylaniline has a molecular weight of 252.38 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-(ethylamino)ethyl]-3-fluoro-N-propylaniline is sourced from PubChem (CID 43284613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).