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

C12H17FN2O — CID 102739824

IUPAC2-[2-[cyclopropyl(methyl)amino]ethoxy]-5-fluoroaniline
SMILESCN(CCOc1ccc(F)cc1N)C1CC1
InChIInChI=1S/C12H17FN2O/c1-15(10-3-4-10)6-7-16-12-5-2-9(13)8-11(12)14/h2,5,8,10H,3-4,6-7,14H2,1H3
InChIKeyWFVJSPBYGUKEOM-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.88
Rot. Bonds5

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

2-[2-[cyclopropyl(methyl)amino]ethoxy]-5-fluoroaniline (PubChem CID 102739824) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(methyl)amino]ethoxy]-5-fluoroaniline.

Molecular Properties

Compound Name2-[2-[cyclopropyl(methyl)amino]ethoxy]-5-fluoroaniline
PubChem CID102739824
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-[2-[cyclopropyl(methyl)amino]ethoxy]-5-fluoroaniline
SMILESCN(CCOc1ccc(F)cc1N)C1CC1
InChIInChI=1S/C12H17FN2O/c1-15(10-3-4-10)6-7-16-12-5-2-9(13)8-11(12)14/h2,5,8,10H,3-4,6-7,14H2,1H3
InChIKeyWFVJSPBYGUKEOM-UHFFFAOYSA-N
XLogP1.88
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(aminomethyl)-4-fluorophenoxy]ethyl]-N-methylcyclopropanamine
CID 102739688
2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-ethoxy-5-fluoroaniline
CID 102739879
2-amino-5-[2-[cyclopropyl(methyl)amino]ethoxy]-4-fluorobenzoic acid
CID 102740359
4-[2-[cyclopropyl(methyl)amino]ethoxy]-3-iodoaniline
CID 102739775
2-[2-[cyclopropyl(methyl)amino]ethoxy]-6-propoxyaniline
CID 102739820
5-fluoro-2-(4-methoxybutoxy)aniline
CID 104646776
N-[2-[2-(aminomethyl)-4-methylphenoxy]ethyl]-N-methylcyclopropanamine
CID 114016709
4-[2-[cyclopropyl(methyl)amino]ethoxy]-3-fluorobenzoic acid
CID 102741131
5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline
CID 104559855
4-[2-[cyclopropyl(methyl)amino]ethoxy]-3-fluorobenzenecarboximidamide
CID 102740175
6-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-2,3-diamine
CID 102739784
N-[2-(2-aminophenoxy)ethyl]-N-methyloxolan-3-amine
CID 82732858

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(methyl)amino]ethoxy]-5-fluoroaniline?
The IUPAC name of 2-[2-[cyclopropyl(methyl)amino]ethoxy]-5-fluoroaniline (CID 102739824) is 2-[2-[cyclopropyl(methyl)amino]ethoxy]-5-fluoroaniline.
What is the SMILES notation for 2-[2-[cyclopropyl(methyl)amino]ethoxy]-5-fluoroaniline?
The canonical SMILES for 2-[2-[cyclopropyl(methyl)amino]ethoxy]-5-fluoroaniline is CN(CCOc1ccc(F)cc1N)C1CC1.
What is the InChIKey of 2-[2-[cyclopropyl(methyl)amino]ethoxy]-5-fluoroaniline?
The InChIKey is WFVJSPBYGUKEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-15(10-3-4-10)6-7-16-12-5-2-9(13)8-11(12)14/h2,5,8,10H,3-4,6-7,14H2,1H3.
What are the key properties of 2-[2-[cyclopropyl(methyl)amino]ethoxy]-5-fluoroaniline?
2-[2-[cyclopropyl(methyl)amino]ethoxy]-5-fluoroaniline has a molecular weight of 224.28 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(methyl)amino]ethoxy]-5-fluoroaniline is sourced from PubChem (CID 102739824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).