(1S)-3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride

C15H15ClF3NO — CID 171220071

IUPAC(1S)-3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride
SMILESCl.N[C@@H](CC(F)(F)F)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H14F3NO.ClH/c16-15(17,18)10-14(19)11-5-4-8-13(9-11)20-12-6-2-1-3-7-12;/h1-9,14H,10,19H2;1H/t14-;/m0./s1
InChIKeyYAHFLWMZOOEODF-UQKRIMTDSA-N
MW317.74 g/mol
LogP4.85
Rot. Bonds4

About (1S)-3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride

(1S)-3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride (PubChem CID 171220071) has the molecular formula C15H15ClF3NO and a molecular weight of 317.74 g/mol. Its IUPAC name is (1S)-3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride
PubChem CID171220071
Molecular FormulaC15H15ClF3NO
Molecular Weight317.74 g/mol
Exact Mass317.08
IUPAC Name(1S)-3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride
SMILESCl.N[C@@H](CC(F)(F)F)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H14F3NO.ClH/c16-15(17,18)10-14(19)11-5-4-8-13(9-11)20-12-6-2-1-3-7-12;/h1-9,14H,10,19H2;1H/t14-;/m0./s1
InChIKeyYAHFLWMZOOEODF-UQKRIMTDSA-N
XLogP4.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine
CID 112693450
(1R)-2-fluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride
CID 171220046
3,3,3-trifluoro-1-(3-methoxyphenyl)propan-1-amine
CID 61392780
(1R)-3,3,3-trifluoro-1-(3-phenylphenyl)propan-1-amine;hydrochloride
CID 171214587
(1R)-2,2,2-trifluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride
CID 171239754
(1S)-3,3,3-trifluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine
CID 171228193
(1R)-1-(3-phenoxyphenyl)propane-1,3-diamine
CID 171200508
[3-[(1S)-1-amino-3,3,3-trifluoropropyl]phenyl] acetate;hydrochloride
CID 171229347
(1S)-3-methyl-1-(3-phenoxyphenyl)butan-1-amine;hydrochloride
CID 171220068
(1S)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine;hydrochloride
CID 171220070
(1R)-3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171209879
(1R)-2,2-dimethyl-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride
CID 171246480

Frequently Asked Questions

What is the IUPAC name of (1S)-3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride?
The IUPAC name of (1S)-3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride (CID 171220071) is (1S)-3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1S)-3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride is Cl.N[C@@H](CC(F)(F)F)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of (1S)-3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride?
The InChIKey is YAHFLWMZOOEODF-UQKRIMTDSA-N. The full InChI is InChI=1S/C15H14F3NO.ClH/c16-15(17,18)10-14(19)11-5-4-8-13(9-11)20-12-6-2-1-3-7-12;/h1-9,14H,10,19H2;1H/t14-;/m0./s1.
What are the key properties of (1S)-3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride?
(1S)-3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride has a molecular weight of 317.74 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171220071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).