5-[[(2R)-2-aminopropoxy]methyl]-2-(trifluoromethyl)aniline

C11H15F3N2O — CID 155114769

IUPAC5-[[(2R)-2-aminopropoxy]methyl]-2-(trifluoromethyl)aniline
SMILESC[C@@H](N)COCc1ccc(C(F)(F)F)c(N)c1
InChIInChI=1S/C11H15F3N2O/c1-7(15)5-17-6-8-2-3-9(10(16)4-8)11(12,13)14/h2-4,7H,5-6,15-16H2,1H3/t7-/m1/s1
InChIKeyVKYFGWZTVBMRLT-SSDOTTSWSA-N
MW248.25 g/mol
LogP2.15
Rot. Bonds4

About 5-[[(2R)-2-aminopropoxy]methyl]-2-(trifluoromethyl)aniline

5-[[(2R)-2-aminopropoxy]methyl]-2-(trifluoromethyl)aniline (PubChem CID 155114769) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 5-[[(2R)-2-aminopropoxy]methyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name5-[[(2R)-2-aminopropoxy]methyl]-2-(trifluoromethyl)aniline
PubChem CID155114769
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name5-[[(2R)-2-aminopropoxy]methyl]-2-(trifluoromethyl)aniline
SMILESC[C@@H](N)COCc1ccc(C(F)(F)F)c(N)c1
InChIInChI=1S/C11H15F3N2O/c1-7(15)5-17-6-8-2-3-9(10(16)4-8)11(12,13)14/h2-4,7H,5-6,15-16H2,1H3/t7-/m1/s1
InChIKeyVKYFGWZTVBMRLT-SSDOTTSWSA-N
XLogP2.15
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[(3,4-dimethylphenyl)methoxy]propan-2-amine
CID 97057920
5-[(4-propan-2-ylphenyl)methoxy]-2-(trifluoromethyl)aniline
CID 163465016
(2S)-1-[[4-(difluoromethoxy)phenyl]methoxy]propan-2-amine
CID 97058293
3-[[3-amino-4-(trifluoromethyl)phenyl]methoxy]phenol
CID 117221806
(2S)-1-[(3,5-dichlorophenyl)methoxy]propan-2-amine
CID 97057927
(2S)-1-[(3-tert-butyl-5-chloro-4-fluorophenyl)methoxy]propan-2-amine
CID 90210500
(2R)-1-[(4-bromo-3-nitrophenyl)methoxy]propan-2-amine
CID 166595541
1-[4-fluoro-2-(trifluoromethyl)phenoxy]propan-2-amine
CID 77492759
1-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine
CID 55205483
4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene
CID 137409492
diethyl 2-[3-amino-4-(trifluoromethyl)phenyl]propanedioate
CID 121265745
3-(2-aminobutoxymethyl)aniline
CID 57007296

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-aminopropoxy]methyl]-2-(trifluoromethyl)aniline?
The IUPAC name of 5-[[(2R)-2-aminopropoxy]methyl]-2-(trifluoromethyl)aniline (CID 155114769) is 5-[[(2R)-2-aminopropoxy]methyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for 5-[[(2R)-2-aminopropoxy]methyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for 5-[[(2R)-2-aminopropoxy]methyl]-2-(trifluoromethyl)aniline is C[C@@H](N)COCc1ccc(C(F)(F)F)c(N)c1.
What is the InChIKey of 5-[[(2R)-2-aminopropoxy]methyl]-2-(trifluoromethyl)aniline?
The InChIKey is VKYFGWZTVBMRLT-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-7(15)5-17-6-8-2-3-9(10(16)4-8)11(12,13)14/h2-4,7H,5-6,15-16H2,1H3/t7-/m1/s1.
What are the key properties of 5-[[(2R)-2-aminopropoxy]methyl]-2-(trifluoromethyl)aniline?
5-[[(2R)-2-aminopropoxy]methyl]-2-(trifluoromethyl)aniline has a molecular weight of 248.25 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-aminopropoxy]methyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 155114769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).