(1R)-3,3,3-trifluoro-1-(3-phenylphenyl)propan-1-amine;hydrochloride

C15H15ClF3N — CID 171214587

IUPAC(1R)-3,3,3-trifluoro-1-(3-phenylphenyl)propan-1-amine;hydrochloride
SMILESCl.N[C@H](CC(F)(F)F)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C15H14F3N.ClH/c16-15(17,18)10-14(19)13-8-4-7-12(9-13)11-5-2-1-3-6-11;/h1-9,14H,10,19H2;1H/t14-;/m1./s1
InChIKeyDQEZCAAFYJXPRW-PFEQFJNWSA-N
MW301.74 g/mol
LogP4.73
Rot. Bonds3

About (1R)-3,3,3-trifluoro-1-(3-phenylphenyl)propan-1-amine;hydrochloride

(1R)-3,3,3-trifluoro-1-(3-phenylphenyl)propan-1-amine;hydrochloride (PubChem CID 171214587) has the molecular formula C15H15ClF3N and a molecular weight of 301.74 g/mol. Its IUPAC name is (1R)-3,3,3-trifluoro-1-(3-phenylphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-3,3,3-trifluoro-1-(3-phenylphenyl)propan-1-amine;hydrochloride
PubChem CID171214587
Molecular FormulaC15H15ClF3N
Molecular Weight301.74 g/mol
Exact Mass301.08
IUPAC Name(1R)-3,3,3-trifluoro-1-(3-phenylphenyl)propan-1-amine;hydrochloride
SMILESCl.N[C@H](CC(F)(F)F)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C15H14F3N.ClH/c16-15(17,18)10-14(19)13-8-4-7-12(9-13)11-5-2-1-3-6-11;/h1-9,14H,10,19H2;1H/t14-;/m1./s1
InChIKeyDQEZCAAFYJXPRW-PFEQFJNWSA-N
XLogP4.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,3-trifluoro-1-(3-pyridin-3-ylphenyl)propan-1-amine
CID 165352272
(1S)-3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride
CID 171220071
(1R)-3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171209879
3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine
CID 112693450
2-amino-2-(3-phenylphenyl)ethanol
CID 77130058
ethane;3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine
CID 156724875
(1R)-1-(3-phenylphenyl)pentan-1-amine;hydrochloride
CID 171214579
(1R)-1-(3-phenylphenyl)butane-1,4-diamine
CID 171214569
(3R)-3-amino-2,2-difluoro-3-(3-phenylphenyl)propan-1-ol
CID 171244503
3,3,3-trifluoro-1-(3-methoxyphenyl)propan-1-amine
CID 61392780
(1R)-3-methyl-1-(3-phenylphenyl)but-3-en-1-amine;hydrochloride
CID 171214607
(1S)-3,3,3-trifluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine
CID 171228193

Frequently Asked Questions

What is the IUPAC name of (1R)-3,3,3-trifluoro-1-(3-phenylphenyl)propan-1-amine;hydrochloride?
The IUPAC name of (1R)-3,3,3-trifluoro-1-(3-phenylphenyl)propan-1-amine;hydrochloride (CID 171214587) is (1R)-3,3,3-trifluoro-1-(3-phenylphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-3,3,3-trifluoro-1-(3-phenylphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-3,3,3-trifluoro-1-(3-phenylphenyl)propan-1-amine;hydrochloride is Cl.N[C@H](CC(F)(F)F)c1cccc(-c2ccccc2)c1.
What is the InChIKey of (1R)-3,3,3-trifluoro-1-(3-phenylphenyl)propan-1-amine;hydrochloride?
The InChIKey is DQEZCAAFYJXPRW-PFEQFJNWSA-N. The full InChI is InChI=1S/C15H14F3N.ClH/c16-15(17,18)10-14(19)13-8-4-7-12(9-13)11-5-2-1-3-6-11;/h1-9,14H,10,19H2;1H/t14-;/m1./s1.
What are the key properties of (1R)-3,3,3-trifluoro-1-(3-phenylphenyl)propan-1-amine;hydrochloride?
(1R)-3,3,3-trifluoro-1-(3-phenylphenyl)propan-1-amine;hydrochloride has a molecular weight of 301.74 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,3,3-trifluoro-1-(3-phenylphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171214587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).