N-ethyl-2-[1-(ethylamino)ethyl]-6-fluoro-N-prop-2-enylaniline

C15H23FN2 — CID 114058766

IUPACN-ethyl-2-[1-(ethylamino)ethyl]-6-fluoro-N-prop-2-enylaniline
SMILESC=CCN(CC)c1c(F)cccc1C(C)NCC
InChIInChI=1S/C15H23FN2/c1-5-11-18(7-3)15-13(12(4)17-6-2)9-8-10-14(15)16/h5,8-10,12,17H,1,6-7,11H2,2-4H3
InChIKeyQFRZUDJCJCQGNF-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.51
Rot. Bonds7

About N-ethyl-2-[1-(ethylamino)ethyl]-6-fluoro-N-prop-2-enylaniline

N-ethyl-2-[1-(ethylamino)ethyl]-6-fluoro-N-prop-2-enylaniline (PubChem CID 114058766) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-ethyl-2-[1-(ethylamino)ethyl]-6-fluoro-N-prop-2-enylaniline.

Molecular Properties

Compound NameN-ethyl-2-[1-(ethylamino)ethyl]-6-fluoro-N-prop-2-enylaniline
PubChem CID114058766
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-ethyl-2-[1-(ethylamino)ethyl]-6-fluoro-N-prop-2-enylaniline
SMILESC=CCN(CC)c1c(F)cccc1C(C)NCC
InChIInChI=1S/C15H23FN2/c1-5-11-18(7-3)15-13(12(4)17-6-2)9-8-10-14(15)16/h5,8-10,12,17H,1,6-7,11H2,2-4H3
InChIKeyQFRZUDJCJCQGNF-UHFFFAOYSA-N
XLogP3.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-ethyl-2-[1-(ethylamino)ethyl]-N-prop-2-enylaniline
CID 82968474
5-[bis(prop-2-enyl)amino]-2-[1-(ethylamino)ethyl]phenol
CID 79600227
N,N-bis(prop-2-enyl)-2-[1-(propylamino)ethyl]aniline
CID 43283869
1-(2,3-difluorophenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 113352661
1-(2,3-difluorophenyl)-N-ethylhex-5-en-1-amine
CID 104986798
N-ethyl-2-[1-(ethylamino)ethyl]-3-fluoro-N-propylaniline
CID 43284613
(1S)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine
CID 126988283
2-[1-(ethylamino)ethyl]-4-fluoro-N-(2-methoxyethyl)-5-methyl-N-prop-2-enylaniline
CID 103339205
3-[N-ethyl-2-fluoro-6-[(1R)-1-hydroxyethyl]anilino]propan-1-ol
CID 114059235
1-(2-chloro-3-fluorophenyl)-N-ethylprop-2-en-1-amine
CID 105000748
2-(1-aminoethyl)-3-fluoro-N,N-bis(prop-2-enyl)aniline
CID 43188702
1-[2-[ethyl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol
CID 114059130

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-(ethylamino)ethyl]-6-fluoro-N-prop-2-enylaniline?
The IUPAC name of N-ethyl-2-[1-(ethylamino)ethyl]-6-fluoro-N-prop-2-enylaniline (CID 114058766) is N-ethyl-2-[1-(ethylamino)ethyl]-6-fluoro-N-prop-2-enylaniline.
What is the SMILES notation for N-ethyl-2-[1-(ethylamino)ethyl]-6-fluoro-N-prop-2-enylaniline?
The canonical SMILES for N-ethyl-2-[1-(ethylamino)ethyl]-6-fluoro-N-prop-2-enylaniline is C=CCN(CC)c1c(F)cccc1C(C)NCC.
What is the InChIKey of N-ethyl-2-[1-(ethylamino)ethyl]-6-fluoro-N-prop-2-enylaniline?
The InChIKey is QFRZUDJCJCQGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-5-11-18(7-3)15-13(12(4)17-6-2)9-8-10-14(15)16/h5,8-10,12,17H,1,6-7,11H2,2-4H3.
What are the key properties of N-ethyl-2-[1-(ethylamino)ethyl]-6-fluoro-N-prop-2-enylaniline?
N-ethyl-2-[1-(ethylamino)ethyl]-6-fluoro-N-prop-2-enylaniline has a molecular weight of 250.36 g/mol, XLogP of 3.51, 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]-6-fluoro-N-prop-2-enylaniline is sourced from PubChem (CID 114058766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).