(1S)-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine

C16H16F3NO — CID 28564761

IUPAC(1S)-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESC[C@H](NCc1ccc(OC(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H16F3NO/c1-12(14-5-3-2-4-6-14)20-11-13-7-9-15(10-8-13)21-16(17,18)19/h2-10,12,20H,11H2,1H3/t12-/m0/s1
InChIKeyHXUHICISYUIMFP-LBPRGKRZSA-N
MW295.30 g/mol
LogP4.44
Rot. Bonds5

About (1S)-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine

(1S)-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine (PubChem CID 28564761) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is (1S)-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
PubChem CID28564761
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name(1S)-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESC[C@H](NCc1ccc(OC(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H16F3NO/c1-12(14-5-3-2-4-6-14)20-11-13-7-9-15(10-8-13)21-16(17,18)19/h2-10,12,20H,11H2,1H3/t12-/m0/s1
InChIKeyHXUHICISYUIMFP-LBPRGKRZSA-N
XLogP4.44
TPSA21.26 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 ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 28647890
(1S)-N-[(4-ethoxyphenyl)methyl]-1-phenylethanamine
CID 927372
N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 43195719
N-[(4-fluorophenyl)methyl]-1-phenylethanamine
CID 2758971
(1R)-N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-phenylethanamine
CID 58803196
(1S)-1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 7145250
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
N,N-diethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]benzenesulfonamide
CID 55463875
(2S)-2-[[4-(trifluoromethoxy)phenyl]methylamino]propanoic acid
CID 83194888
N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 24697408
2-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 43190379
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 119139027

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine?
The IUPAC name of (1S)-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine (CID 28564761) is (1S)-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for (1S)-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for (1S)-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine is C[C@H](NCc1ccc(OC(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of (1S)-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine?
The InChIKey is HXUHICISYUIMFP-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-12(14-5-3-2-4-6-14)20-11-13-7-9-15(10-8-13)21-16(17,18)19/h2-10,12,20H,11H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine?
(1S)-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine has a molecular weight of 295.30 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 28564761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).