(1R)-2,2,2-trifluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride

C14H13ClF3NO — CID 171239754

IUPAC(1R)-2,2,2-trifluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride
SMILESCl.N[C@H](c1cccc(Oc2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C14H12F3NO.ClH/c15-14(16,17)13(18)10-5-4-8-12(9-10)19-11-6-2-1-3-7-11;/h1-9,13H,18H2;1H/t13-;/m1./s1
InChIKeyBWSQPXROOGNIPR-BTQNPOSSSA-N
MW303.71 g/mol
LogP4.46
Rot. Bonds3

About (1R)-2,2,2-trifluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride

(1R)-2,2,2-trifluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride (PubChem CID 171239754) has the molecular formula C14H13ClF3NO and a molecular weight of 303.71 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride
PubChem CID171239754
Molecular FormulaC14H13ClF3NO
Molecular Weight303.71 g/mol
Exact Mass303.06
IUPAC Name(1R)-2,2,2-trifluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride
SMILESCl.N[C@H](c1cccc(Oc2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C14H12F3NO.ClH/c15-14(16,17)13(18)10-5-4-8-12(9-10)19-11-6-2-1-3-7-11;/h1-9,13H,18H2;1H/t13-;/m1./s1
InChIKeyBWSQPXROOGNIPR-BTQNPOSSSA-N
XLogP4.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.71
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2,2-dimethyl-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride
CID 171246480
(1S)-3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride
CID 171220071
(1R)-2-fluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride
CID 171220046
3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine
CID 112693450
(1S)-1-(3-butan-2-yloxyphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 161056198
[3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenyl] acetate
CID 66511376
3,3,3-trifluoro-2-(3-phenoxyphenyl)propanoate
CID 21311724
3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol;hydrochloride
CID 171238998
(1R)-1-(3-phenoxyphenyl)propane-1,3-diamine
CID 171200508
(1S)-3-methyl-1-(3-phenoxyphenyl)butan-1-amine;hydrochloride
CID 171220068
3-(1-amino-2,2,2-trifluoroethyl)aniline
CID 55273208
(1S,2R)-1-amino-1-(3-phenoxyphenyl)propan-2-ol
CID 171266953

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride?
The IUPAC name of (1R)-2,2,2-trifluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride (CID 171239754) is (1R)-2,2,2-trifluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride is Cl.N[C@H](c1cccc(Oc2ccccc2)c1)C(F)(F)F.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride?
The InChIKey is BWSQPXROOGNIPR-BTQNPOSSSA-N. The full InChI is InChI=1S/C14H12F3NO.ClH/c15-14(16,17)13(18)10-5-4-8-12(9-10)19-11-6-2-1-3-7-11;/h1-9,13H,18H2;1H/t13-;/m1./s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride?
(1R)-2,2,2-trifluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride has a molecular weight of 303.71 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 171239754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).