2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-ethoxy-5-fluoroaniline

C14H21FN2O2 — CID 102739879

IUPAC2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-ethoxy-5-fluoroaniline
SMILESCCOc1cc(OCCN(C)C2CC2)c(N)cc1F
InChIInChI=1S/C14H21FN2O2/c1-3-18-13-9-14(12(16)8-11(13)15)19-7-6-17(2)10-4-5-10/h8-10H,3-7,16H2,1-2H3
InChIKeyWBQNXOUKTWEFSE-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.28
Rot. Bonds7

About 2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-ethoxy-5-fluoroaniline

2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-ethoxy-5-fluoroaniline (PubChem CID 102739879) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-ethoxy-5-fluoroaniline.

Molecular Properties

Compound Name2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-ethoxy-5-fluoroaniline
PubChem CID102739879
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-ethoxy-5-fluoroaniline
SMILESCCOc1cc(OCCN(C)C2CC2)c(N)cc1F
InChIInChI=1S/C14H21FN2O2/c1-3-18-13-9-14(12(16)8-11(13)15)19-7-6-17(2)10-4-5-10/h8-10H,3-7,16H2,1-2H3
InChIKeyWBQNXOUKTWEFSE-UHFFFAOYSA-N
XLogP2.28
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-[2-[cyclopropyl(methyl)amino]ethoxy]-4-fluorobenzoic acid
CID 102740359
2-[2-[cyclopropyl(methyl)amino]ethoxy]-5-fluoroaniline
CID 102739824
4-ethoxy-5-fluoro-2-(2-methoxyethoxy)aniline
CID 63593955
4-ethoxy-5-fluoro-2-(3-methylbutoxy)aniline
CID 63594139
2-[2-(dimethylamino)-2-methylpropoxy]-4-ethoxy-5-fluoroaniline
CID 79679930
2-(2-amino-N-cyclopropyl-5-ethoxy-4-fluoroanilino)ethanol
CID 63593939
2-cyclohexyloxy-4-ethoxy-5-fluoroaniline
CID 63594138
2-[2-[cyclopropyl(methyl)amino]ethoxy]-6-propoxyaniline
CID 102739820
4-[2-[cyclopropyl(methyl)amino]ethoxy]-3-fluorobenzoic acid
CID 102741131
N-[2-[2-(aminomethyl)-4-fluorophenoxy]ethyl]-N-methylcyclopropanamine
CID 102739688
3-(2-amino-N-cyclopropyl-5-ethoxy-4-fluoroanilino)propanenitrile
CID 63594298
4-[2-[cyclopropyl(methyl)amino]ethoxy]-3-fluorobenzenecarboximidamide
CID 102740175

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-ethoxy-5-fluoroaniline?
The IUPAC name of 2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-ethoxy-5-fluoroaniline (CID 102739879) is 2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-ethoxy-5-fluoroaniline.
What is the SMILES notation for 2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-ethoxy-5-fluoroaniline?
The canonical SMILES for 2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-ethoxy-5-fluoroaniline is CCOc1cc(OCCN(C)C2CC2)c(N)cc1F.
What is the InChIKey of 2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-ethoxy-5-fluoroaniline?
The InChIKey is WBQNXOUKTWEFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-3-18-13-9-14(12(16)8-11(13)15)19-7-6-17(2)10-4-5-10/h8-10H,3-7,16H2,1-2H3.
What are the key properties of 2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-ethoxy-5-fluoroaniline?
2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-ethoxy-5-fluoroaniline has a molecular weight of 268.33 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-ethoxy-5-fluoroaniline is sourced from PubChem (CID 102739879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).