(1R)-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine

C16H16F3NO — CID 29016755

IUPAC(1R)-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1cccc(OCc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H16F3NO/c1-11(20)13-5-3-7-15(9-13)21-10-12-4-2-6-14(8-12)16(17,18)19/h2-9,11H,10,20H2,1H3/t11-/m1/s1
InChIKeyCPCPSEHPAIQEKY-LLVKDONJSA-N
MW295.30 g/mol
LogP4.30
Rot. Bonds4

About (1R)-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine

(1R)-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine (PubChem CID 29016755) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is (1R)-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine
PubChem CID29016755
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name(1R)-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1cccc(OCc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H16F3NO/c1-11(20)13-5-3-7-15(9-13)21-10-12-4-2-6-14(8-12)16(17,18)19/h2-9,11H,10,20H2,1H3/t11-/m1/s1
InChIKeyCPCPSEHPAIQEKY-LLVKDONJSA-N
XLogP4.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.30
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
(1R)-1-[3-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 30123362
1-[3-[(3,4-difluorophenyl)methoxy]phenyl]ethanamine
CID 82918244
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
3-[[3-[(1S)-1-aminoethyl]phenoxy]methyl]benzonitrile
CID 55190628
(1R)-1-[3-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 55190099
(1S)-1-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanamine
CID 103037860
1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 60879205
(2R)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-2-amine
CID 56989773
1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880
1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 91656323
3-[[3-(trifluoromethyl)phenyl]methoxy]benzenecarbothioamide
CID 29016770

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine (CID 29016755) is (1R)-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine is C[C@@H](N)c1cccc(OCc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of (1R)-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine?
The InChIKey is CPCPSEHPAIQEKY-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-11(20)13-5-3-7-15(9-13)21-10-12-4-2-6-14(8-12)16(17,18)19/h2-9,11H,10,20H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine?
(1R)-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine has a molecular weight of 295.30 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine is sourced from PubChem (CID 29016755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).