N-ethyl-4-fluoro-3-[2-(3-propoxypropoxy)ethoxy]aniline

C16H26FNO3 — CID 142327705

IUPACN-ethyl-4-fluoro-3-[2-(3-propoxypropoxy)ethoxy]aniline
SMILESCCCOCCCOCCOc1cc(NCC)ccc1F
InChIInChI=1S/C16H26FNO3/c1-3-8-19-9-5-10-20-11-12-21-16-13-14(18-4-2)6-7-15(16)17/h6-7,13,18H,3-5,8-12H2,1-2H3
InChIKeyZGFWREIZTPGNQN-UHFFFAOYSA-N
MW299.39 g/mol
LogP3.47
Rot. Bonds12

About N-ethyl-4-fluoro-3-[2-(3-propoxypropoxy)ethoxy]aniline

N-ethyl-4-fluoro-3-[2-(3-propoxypropoxy)ethoxy]aniline (PubChem CID 142327705) has the molecular formula C16H26FNO3 and a molecular weight of 299.39 g/mol. Its IUPAC name is N-ethyl-4-fluoro-3-[2-(3-propoxypropoxy)ethoxy]aniline.

Molecular Properties

Compound NameN-ethyl-4-fluoro-3-[2-(3-propoxypropoxy)ethoxy]aniline
PubChem CID142327705
Molecular FormulaC16H26FNO3
Molecular Weight299.39 g/mol
Exact Mass299.19
IUPAC NameN-ethyl-4-fluoro-3-[2-(3-propoxypropoxy)ethoxy]aniline
SMILESCCCOCCCOCCOc1cc(NCC)ccc1F
InChIInChI=1S/C16H26FNO3/c1-3-8-19-9-5-10-20-11-12-21-16-13-14(18-4-2)6-7-15(16)17/h6-7,13,18H,3-5,8-12H2,1-2H3
InChIKeyZGFWREIZTPGNQN-UHFFFAOYSA-N
XLogP3.47
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.47
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

4-bromo-2-(2-butoxyethoxy)-1-fluorobenzene
CID 115919154
N-ethyl-4-fluoro-3-methoxyaniline;hydrochloride
CID 67609576
1-[3-[3-[4-(ethylamino)-2-fluorophenoxy]propoxy]propoxy]-3-methylbutan-2-one
CID 134493053
4-chloro-N-ethyl-3-propoxyaniline
CID 143061736
N-butyl-3,4-dipropoxyaniline
CID 83961551
N-(2-butoxyethyl)-4-ethoxy-3-fluoroaniline
CID 113399744
4-ethoxy-N-ethyl-3-fluoroaniline
CID 82490729
5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-propoxyaniline
CID 103176795
3,4-difluoro-N-[2-(3-methoxypropoxy)ethyl]aniline
CID 103178421
[5-(ethylamino)-2-fluorophenyl]methanol
CID 167978099
ethane;1-fluoro-4-methyl-2-propoxybenzene
CID 162531945
N-ethyl-3-pentoxy-4-prop-1-en-2-ylaniline
CID 135141091

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-fluoro-3-[2-(3-propoxypropoxy)ethoxy]aniline?
The IUPAC name of N-ethyl-4-fluoro-3-[2-(3-propoxypropoxy)ethoxy]aniline (CID 142327705) is N-ethyl-4-fluoro-3-[2-(3-propoxypropoxy)ethoxy]aniline.
What is the SMILES notation for N-ethyl-4-fluoro-3-[2-(3-propoxypropoxy)ethoxy]aniline?
The canonical SMILES for N-ethyl-4-fluoro-3-[2-(3-propoxypropoxy)ethoxy]aniline is CCCOCCCOCCOc1cc(NCC)ccc1F.
What is the InChIKey of N-ethyl-4-fluoro-3-[2-(3-propoxypropoxy)ethoxy]aniline?
The InChIKey is ZGFWREIZTPGNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO3/c1-3-8-19-9-5-10-20-11-12-21-16-13-14(18-4-2)6-7-15(16)17/h6-7,13,18H,3-5,8-12H2,1-2H3.
What are the key properties of N-ethyl-4-fluoro-3-[2-(3-propoxypropoxy)ethoxy]aniline?
N-ethyl-4-fluoro-3-[2-(3-propoxypropoxy)ethoxy]aniline has a molecular weight of 299.39 g/mol, XLogP of 3.47, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-fluoro-3-[2-(3-propoxypropoxy)ethoxy]aniline is sourced from PubChem (CID 142327705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).