3-[2-[cyclopropyl(methyl)amino]ethoxy]-5-(trifluoromethyl)aniline

C13H17F3N2O — CID 102739743

IUPAC3-[2-[cyclopropyl(methyl)amino]ethoxy]-5-(trifluoromethyl)aniline
SMILESCN(CCOc1cc(N)cc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C13H17F3N2O/c1-18(11-2-3-11)4-5-19-12-7-9(13(14,15)16)6-10(17)8-12/h6-8,11H,2-5,17H2,1H3
InChIKeyGTQVRXDOKOFZFH-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.76
Rot. Bonds5

About 3-[2-[cyclopropyl(methyl)amino]ethoxy]-5-(trifluoromethyl)aniline

3-[2-[cyclopropyl(methyl)amino]ethoxy]-5-(trifluoromethyl)aniline (PubChem CID 102739743) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 3-[2-[cyclopropyl(methyl)amino]ethoxy]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-[2-[cyclopropyl(methyl)amino]ethoxy]-5-(trifluoromethyl)aniline
PubChem CID102739743
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name3-[2-[cyclopropyl(methyl)amino]ethoxy]-5-(trifluoromethyl)aniline
SMILESCN(CCOc1cc(N)cc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C13H17F3N2O/c1-18(11-2-3-11)4-5-19-12-7-9(13(14,15)16)6-10(17)8-12/h6-8,11H,2-5,17H2,1H3
InChIKeyGTQVRXDOKOFZFH-UHFFFAOYSA-N
XLogP2.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.76
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

3-pentoxy-5-(trifluoromethyl)aniline
CID 82995842
3-(3,3-dimethylbutoxy)-5-(trifluoromethyl)aniline
CID 82994867
N-[2-(4-aminophenoxy)ethyl]-N-methylcyclooctanamine
CID 89350544
5-[2-[cyclopropyl(methyl)amino]ethoxy]-2-(trifluoromethyl)benzenecarbothioamide
CID 102740113
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopropanamine
CID 43264634
N-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]azetidin-3-amine
CID 120857759
5-[2-(dimethylamino)ethoxy]benzene-1,3-diamine
CID 68840526
4-[2-[cyclopropyl(methyl)amino]ethoxy]-3-iodoaniline
CID 102739775
2-[2-[cyclopropyl(methyl)amino]ethoxy]-5-fluoroaniline
CID 102739824
3-(4-ethoxyphenoxy)-5-(trifluoromethyl)aniline
CID 82990854
2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-ethoxy-5-fluoroaniline
CID 102739879
N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-[2-[cyclopropyl(methyl)amino]ethoxy]-7-methoxy-2-methylquinolin-4-amine
CID 164873146

Frequently Asked Questions

What is the IUPAC name of 3-[2-[cyclopropyl(methyl)amino]ethoxy]-5-(trifluoromethyl)aniline?
The IUPAC name of 3-[2-[cyclopropyl(methyl)amino]ethoxy]-5-(trifluoromethyl)aniline (CID 102739743) is 3-[2-[cyclopropyl(methyl)amino]ethoxy]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3-[2-[cyclopropyl(methyl)amino]ethoxy]-5-(trifluoromethyl)aniline?
The canonical SMILES for 3-[2-[cyclopropyl(methyl)amino]ethoxy]-5-(trifluoromethyl)aniline is CN(CCOc1cc(N)cc(C(F)(F)F)c1)C1CC1.
What is the InChIKey of 3-[2-[cyclopropyl(methyl)amino]ethoxy]-5-(trifluoromethyl)aniline?
The InChIKey is GTQVRXDOKOFZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-18(11-2-3-11)4-5-19-12-7-9(13(14,15)16)6-10(17)8-12/h6-8,11H,2-5,17H2,1H3.
What are the key properties of 3-[2-[cyclopropyl(methyl)amino]ethoxy]-5-(trifluoromethyl)aniline?
3-[2-[cyclopropyl(methyl)amino]ethoxy]-5-(trifluoromethyl)aniline has a molecular weight of 274.29 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[cyclopropyl(methyl)amino]ethoxy]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 102739743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).