(1R)-4,4,4-trifluoro-1-(3-phenylmethoxyphenyl)butan-1-amine;hydrochloride

C17H19ClF3NO — CID 171211275

IUPAC(1R)-4,4,4-trifluoro-1-(3-phenylmethoxyphenyl)butan-1-amine;hydrochloride
SMILESCl.N[C@H](CCC(F)(F)F)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C17H18F3NO.ClH/c18-17(19,20)10-9-16(21)14-7-4-8-15(11-14)22-12-13-5-2-1-3-6-13;/h1-8,11,16H,9-10,12,21H2;1H/t16-;/m1./s1
InChIKeyHKOSGVQUAXYPJU-PKLMIRHRSA-N
MW345.79 g/mol
LogP5.03
Rot. Bonds6

About (1R)-4,4,4-trifluoro-1-(3-phenylmethoxyphenyl)butan-1-amine;hydrochloride

(1R)-4,4,4-trifluoro-1-(3-phenylmethoxyphenyl)butan-1-amine;hydrochloride (PubChem CID 171211275) has the molecular formula C17H19ClF3NO and a molecular weight of 345.79 g/mol. Its IUPAC name is (1R)-4,4,4-trifluoro-1-(3-phenylmethoxyphenyl)butan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-4,4,4-trifluoro-1-(3-phenylmethoxyphenyl)butan-1-amine;hydrochloride
PubChem CID171211275
Molecular FormulaC17H19ClF3NO
Molecular Weight345.79 g/mol
Exact Mass345.11
IUPAC Name(1R)-4,4,4-trifluoro-1-(3-phenylmethoxyphenyl)butan-1-amine;hydrochloride
SMILESCl.N[C@H](CCC(F)(F)F)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C17H18F3NO.ClH/c18-17(19,20)10-9-16(21)14-7-4-8-15(11-14)22-12-13-5-2-1-3-6-13;/h1-8,11,16H,9-10,12,21H2;1H/t16-;/m1./s1
InChIKeyHKOSGVQUAXYPJU-PKLMIRHRSA-N
XLogP5.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.79
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-4,4,4-trifluoro-1-(4-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171230781
(1R)-1-(3-phenylmethoxyphenyl)propane-1,3-diamine
CID 171211251
(1S)-1-(3-phenylmethoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171230857
(1S)-4,4,4-trifluoro-1-(4-phenylmethoxyphenyl)butan-1-amine
CID 171230780
(1S)-1-(3-phenylmethoxyphenyl)butan-1-amine
CID 139719271
(1R)-1-(3-phenylmethoxyphenyl)pentane-1,5-diamine
CID 171211255
(2R)-2-amino-2-(3-phenylmethoxyphenyl)ethanol
CID 66515455
(1R)-2,2,3,3,3-pentafluoro-1-(3-phenylmethoxyphenyl)propan-1-amine
CID 171312580
(1S)-3-methyl-1-(3-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171230868
(1S)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171243477
(1R)-4,4,4-trifluoro-1-(3-methoxy-4-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171214534
(1S)-4,4,4-trifluoro-1-(3-methoxy-4-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171234164

Frequently Asked Questions

What is the IUPAC name of (1R)-4,4,4-trifluoro-1-(3-phenylmethoxyphenyl)butan-1-amine;hydrochloride?
The IUPAC name of (1R)-4,4,4-trifluoro-1-(3-phenylmethoxyphenyl)butan-1-amine;hydrochloride (CID 171211275) is (1R)-4,4,4-trifluoro-1-(3-phenylmethoxyphenyl)butan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-4,4,4-trifluoro-1-(3-phenylmethoxyphenyl)butan-1-amine;hydrochloride?
The canonical SMILES for (1R)-4,4,4-trifluoro-1-(3-phenylmethoxyphenyl)butan-1-amine;hydrochloride is Cl.N[C@H](CCC(F)(F)F)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of (1R)-4,4,4-trifluoro-1-(3-phenylmethoxyphenyl)butan-1-amine;hydrochloride?
The InChIKey is HKOSGVQUAXYPJU-PKLMIRHRSA-N. The full InChI is InChI=1S/C17H18F3NO.ClH/c18-17(19,20)10-9-16(21)14-7-4-8-15(11-14)22-12-13-5-2-1-3-6-13;/h1-8,11,16H,9-10,12,21H2;1H/t16-;/m1./s1.
What are the key properties of (1R)-4,4,4-trifluoro-1-(3-phenylmethoxyphenyl)butan-1-amine;hydrochloride?
(1R)-4,4,4-trifluoro-1-(3-phenylmethoxyphenyl)butan-1-amine;hydrochloride has a molecular weight of 345.79 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4,4,4-trifluoro-1-(3-phenylmethoxyphenyl)butan-1-amine;hydrochloride is sourced from PubChem (CID 171211275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).