1-phenyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride

C15H15ClF3NO — CID 164622114

IUPAC1-phenyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
SMILESCl.NC(COc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C15H14F3NO.ClH/c16-15(17,18)12-7-4-8-13(9-12)20-10-14(19)11-5-2-1-3-6-11;/h1-9,14H,10,19H2;1H
InChIKeyPRPCJDXWOAUTRO-UHFFFAOYSA-N
MW317.74 g/mol
LogP4.21
Rot. Bonds4

About 1-phenyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride

1-phenyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride (PubChem CID 164622114) has the molecular formula C15H15ClF3NO and a molecular weight of 317.74 g/mol. Its IUPAC name is 1-phenyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-phenyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
PubChem CID164622114
Molecular FormulaC15H15ClF3NO
Molecular Weight317.74 g/mol
Exact Mass317.08
IUPAC Name1-phenyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
SMILESCl.NC(COc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C15H14F3NO.ClH/c16-15(17,18)12-7-4-8-13(9-12)20-10-14(19)11-5-2-1-3-6-11;/h1-9,14H,10,19H2;1H
InChIKeyPRPCJDXWOAUTRO-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-tert-butylphenoxy)-1-phenylethanamine
CID 43351796
2-[1-amino-2-[3-(trifluoromethyl)phenoxy]ethyl]phenol
CID 117243705
(1S)-2-phenoxy-1-phenylethanamine;hydrochloride
CID 131882540
3-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-phenylpropanamide
CID 119950634
1-[3-(trifluoromethyl)phenoxy]butan-2-amine
CID 11009853
2-(3-ethoxyphenoxy)-1-phenylethanamine
CID 62335579
1-(3-methoxyphenyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine
CID 117242766
2-(3-ethylphenoxy)-1-phenylethanamine
CID 43211626
2-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 166520305
2-(3,4-difluorophenoxy)-1-phenylethanamine
CID 63772754
4-methoxy-1-[3-(trifluoromethyl)phenoxy]butan-2-amine
CID 117236740
1-(4-fluorophenyl)-2-phenoxyethanamine;hydrochloride
CID 138991019

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride?
The IUPAC name of 1-phenyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride (CID 164622114) is 1-phenyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride.
What is the SMILES notation for 1-phenyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride?
The canonical SMILES for 1-phenyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride is Cl.NC(COc1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride?
The InChIKey is PRPCJDXWOAUTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO.ClH/c16-15(17,18)12-7-4-8-13(9-12)20-10-14(19)11-5-2-1-3-6-11;/h1-9,14H,10,19H2;1H.
What are the key properties of 1-phenyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride?
1-phenyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride has a molecular weight of 317.74 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride is sourced from PubChem (CID 164622114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).