N-ethyl-1-[5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine

C16H26FNO3 — CID 103177883

IUPACN-ethyl-1-[5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine
SMILESCCNC(C)c1cc(F)ccc1OCCOCCCOC
InChIInChI=1S/C16H26FNO3/c1-4-18-13(2)15-12-14(17)6-7-16(15)21-11-10-20-9-5-8-19-3/h6-7,12-13,18H,4-5,8-11H2,1-3H3
InChIKeyYHFFJSMXNDQBGU-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.93
Rot. Bonds11

About N-ethyl-1-[5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine

N-ethyl-1-[5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine (PubChem CID 103177883) has the molecular formula C16H26FNO3 and a molecular weight of 299.39 g/mol. Its IUPAC name is N-ethyl-1-[5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine
PubChem CID103177883
Molecular FormulaC16H26FNO3
Molecular Weight299.39 g/mol
Exact Mass299.19
IUPAC NameN-ethyl-1-[5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine
SMILESCCNC(C)c1cc(F)ccc1OCCOCCCOC
InChIInChI=1S/C16H26FNO3/c1-4-18-13(2)15-12-14(17)6-7-16(15)21-11-10-20-9-5-8-19-3/h6-7,12-13,18H,4-5,8-11H2,1-3H3
InChIKeyYHFFJSMXNDQBGU-UHFFFAOYSA-N
XLogP2.93
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethanamine
CID 43285224
N-ethyl-1-(5-fluoro-2-pentoxyphenyl)ethanamine
CID 43286048
N-ethyl-1-[2-[2-(3-methoxypropoxy)ethoxy]-4-methylphenyl]ethanamine
CID 103177842
1-[2-(2-butoxyethoxy)-5-fluorophenyl]-N-methylethanamine
CID 43285770
1-[2-(2-ethoxyethoxy)-4-fluorophenyl]-N-ethylethanamine
CID 55180092
(1S)-1-[5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol
CID 104564087
N-ethyl-1-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine
CID 43505142
N-ethyl-1-[5-fluoro-2-(3-methoxypropylsulfanyl)phenyl]ethanamine
CID 55260348
(1S)-1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanamine
CID 29003282
1-[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]-N-methylethanamine
CID 103177693
1-[5-chloro-2-(2-ethoxyethoxy)phenyl]-N-ethylethanamine
CID 62074237
2-[1-(ethylamino)ethyl]-4-fluoro-N,N-bis(2-methoxyethyl)aniline
CID 61418293

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine (CID 103177883) is N-ethyl-1-[5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine is CCNC(C)c1cc(F)ccc1OCCOCCCOC.
What is the InChIKey of N-ethyl-1-[5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine?
The InChIKey is YHFFJSMXNDQBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO3/c1-4-18-13(2)15-12-14(17)6-7-16(15)21-11-10-20-9-5-8-19-3/h6-7,12-13,18H,4-5,8-11H2,1-3H3.
What are the key properties of N-ethyl-1-[5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine?
N-ethyl-1-[5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine has a molecular weight of 299.39 g/mol, XLogP of 2.93, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 103177883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).