N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[1-(propylamino)ethyl]aniline

C17H29FN2O — CID 63697582

IUPACN-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[1-(propylamino)ethyl]aniline
SMILESCCCNC(C)c1ccc(N(CC)CCOCC)c(F)c1
InChIInChI=1S/C17H29FN2O/c1-5-10-19-14(4)15-8-9-17(16(18)13-15)20(6-2)11-12-21-7-3/h8-9,13-14,19H,5-7,10-12H2,1-4H3
InChIKeyMKTFYKVAUSJGOL-UHFFFAOYSA-N
MW296.43 g/mol
LogP3.75
Rot. Bonds10

About N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[1-(propylamino)ethyl]aniline

N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[1-(propylamino)ethyl]aniline (PubChem CID 63697582) has the molecular formula C17H29FN2O and a molecular weight of 296.43 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[1-(propylamino)ethyl]aniline.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[1-(propylamino)ethyl]aniline
PubChem CID63697582
Molecular FormulaC17H29FN2O
Molecular Weight296.43 g/mol
Exact Mass296.23
IUPAC NameN-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[1-(propylamino)ethyl]aniline
SMILESCCCNC(C)c1ccc(N(CC)CCOCC)c(F)c1
InChIInChI=1S/C17H29FN2O/c1-5-10-19-14(4)15-8-9-17(16(18)13-15)20(6-2)11-12-21-7-3/h8-9,13-14,19H,5-7,10-12H2,1-4H3
InChIKeyMKTFYKVAUSJGOL-UHFFFAOYSA-N
XLogP3.75
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(2-ethoxyethyl)-N-ethyl-4-[1-(ethylamino)ethyl]aniline
CID 63697741
2-fluoro-N-methyl-N-propyl-4-[1-(propylamino)ethyl]aniline
CID 43284666
2-chloro-N-(2-ethoxyethyl)-N-ethyl-4-[1-(methylamino)ethyl]aniline
CID 63697573
2-fluoro-N-methyl-N-(2-methylbutyl)-4-[1-(propylamino)ethyl]aniline
CID 43295957
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]aniline
CID 63691377
N-(2-ethoxyethyl)-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 82994797
4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-(2-methoxyethyl)aniline
CID 63368752
N-(2-ethoxyethyl)-N-ethyl-3-fluoro-2-[1-(methylamino)ethyl]aniline
CID 63697732
1-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone
CID 63697407
4-[1-(ethylamino)ethyl]-2-fluoro-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63532693
1-(3-chloro-4-fluorophenyl)-N-(2-ethoxyethyl)ethanamine
CID 43590710

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[1-(propylamino)ethyl]aniline?
The IUPAC name of N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[1-(propylamino)ethyl]aniline (CID 63697582) is N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[1-(propylamino)ethyl]aniline.
What is the SMILES notation for N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[1-(propylamino)ethyl]aniline?
The canonical SMILES for N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[1-(propylamino)ethyl]aniline is CCCNC(C)c1ccc(N(CC)CCOCC)c(F)c1.
What is the InChIKey of N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[1-(propylamino)ethyl]aniline?
The InChIKey is MKTFYKVAUSJGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2O/c1-5-10-19-14(4)15-8-9-17(16(18)13-15)20(6-2)11-12-21-7-3/h8-9,13-14,19H,5-7,10-12H2,1-4H3.
What are the key properties of N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[1-(propylamino)ethyl]aniline?
N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[1-(propylamino)ethyl]aniline has a molecular weight of 296.43 g/mol, XLogP of 3.75, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[1-(propylamino)ethyl]aniline is sourced from PubChem (CID 63697582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).