(2R)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-2-amine

C17H18F3NO — CID 56989773

IUPAC(2R)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-2-amine
SMILESC[C@@H](N)Cc1cccc(OCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H18F3NO/c1-12(21)9-14-3-2-4-16(10-14)22-11-13-5-7-15(8-6-13)17(18,19)20/h2-8,10,12H,9,11,21H2,1H3/t12-/m1/s1
InChIKeyHGAUNEQHSLATHB-GFCCVEGCSA-N
MW309.33 g/mol
LogP4.17
Rot. Bonds5

About (2R)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-2-amine

(2R)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-2-amine (PubChem CID 56989773) has the molecular formula C17H18F3NO and a molecular weight of 309.33 g/mol. Its IUPAC name is (2R)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-2-amine
PubChem CID56989773
Molecular FormulaC17H18F3NO
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Name(2R)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-2-amine
SMILESC[C@@H](N)Cc1cccc(OCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H18F3NO/c1-12(21)9-14-3-2-4-16(10-14)22-11-13-5-7-15(8-6-13)17(18,19)20/h2-8,10,12H,9,11,21H2,1H3/t12-/m1/s1
InChIKeyHGAUNEQHSLATHB-GFCCVEGCSA-N
XLogP4.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine
CID 78930712
2-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide
CID 60605202
1-[3-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine
CID 64566554
(1R)-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine
CID 29016755
[4-(trifluoromethyl)phenyl]methyl 3-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propanoate
CID 122476800
1-[3-(pyrimidin-2-ylmethoxy)phenyl]propan-2-amine
CID 62699214
1-[3-(2-methylpropoxy)phenyl]propan-2-amine
CID 60907864
1-[3-(methoxymethoxy)phenyl]propan-2-amine
CID 55253645
1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine
CID 54928885
(2R)-1-(3-butoxyphenyl)propan-2-amine
CID 171719991
1-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 90934735
1-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-2-amine
CID 112591169

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-2-amine?
The IUPAC name of (2R)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-2-amine (CID 56989773) is (2R)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-2-amine.
What is the SMILES notation for (2R)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-2-amine?
The canonical SMILES for (2R)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-2-amine is C[C@@H](N)Cc1cccc(OCc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of (2R)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-2-amine?
The InChIKey is HGAUNEQHSLATHB-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18F3NO/c1-12(21)9-14-3-2-4-16(10-14)22-11-13-5-7-15(8-6-13)17(18,19)20/h2-8,10,12H,9,11,21H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-2-amine?
(2R)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-2-amine has a molecular weight of 309.33 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 56989773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).