1-phenyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine

C16H16F3NO — CID 62608696

IUPAC1-phenyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
SMILESNC(Cc1ccccc1)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO/c17-16(18,19)21-15-8-6-13(7-9-15)11-14(20)10-12-4-2-1-3-5-12/h1-9,14H,10-11,20H2
InChIKeyXTHYFLUZDSYOQK-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.70
Rot. Bonds5

About 1-phenyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine

1-phenyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine (PubChem CID 62608696) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-phenyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-phenyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
PubChem CID62608696
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name1-phenyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
SMILESNC(Cc1ccccc1)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO/c17-16(18,19)21-15-8-6-13(7-9-15)11-14(20)10-12-4-2-1-3-5-12/h1-9,14H,10-11,20H2
InChIKeyXTHYFLUZDSYOQK-UHFFFAOYSA-N
XLogP3.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-[4-(trifluoromethoxy)phenyl]propan-1-ol
CID 64573058
1-(2-phenylethyl)-4-(trifluoromethoxy)benzene
CID 91341581
1-propan-2-yloxy-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 105136604
1-tert-butylsulfanyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 65132270
triphenyl-[[4-(trifluoromethoxy)phenyl]methyl]phosphanium
CID 10673816
triphenyl-[[4-(trifluoromethoxy)phenyl]methyl]phosphanium bromide
CID 22407658
1-(2,2,3,3-tetramethylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 115843444
(2S)-2-amino-3-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride
CID 119288372
4-methyl-5-[4-(trifluoromethoxy)phenyl]pentan-2-amine
CID 64718513
1,1-dimethoxy-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 79492941
3-phenyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid
CID 141107925
(3S)-4-phenyl-1-N-[[3-(trifluoromethoxy)phenyl]methyl]butane-1,3-diamine
CID 91391808

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-phenyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine (CID 62608696) is 1-phenyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-phenyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-phenyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine is NC(Cc1ccccc1)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-phenyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine?
The InChIKey is XTHYFLUZDSYOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c17-16(18,19)21-15-8-6-13(7-9-15)11-14(20)10-12-4-2-1-3-5-12/h1-9,14H,10-11,20H2.
What are the key properties of 1-phenyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine?
1-phenyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine has a molecular weight of 295.30 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 62608696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).