(1R)-1-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-N-(1-pyridin-2-ylethyl)ethanamine

C23H23F3N2O — CID 45378002

IUPAC(1R)-1-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-N-(1-pyridin-2-ylethyl)ethanamine
SMILESCOc1ccc([C@@H](C)NC(C)c2ccccn2)cc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H23F3N2O/c1-15(28-16(2)21-6-4-5-13-27-21)18-9-12-22(29-3)20(14-18)17-7-10-19(11-8-17)23(24,25)26/h4-16,28H,1-3H3/t15-,16?/m1/s1
InChIKeyJECYJQISTFHPPR-AAFJCEBUSA-N
MW400.44 g/mol
LogP6.19
Rot. Bonds6

About (1R)-1-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-N-(1-pyridin-2-ylethyl)ethanamine

(1R)-1-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-N-(1-pyridin-2-ylethyl)ethanamine (PubChem CID 45378002) has the molecular formula C23H23F3N2O and a molecular weight of 400.44 g/mol. Its IUPAC name is (1R)-1-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-N-(1-pyridin-2-ylethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-N-(1-pyridin-2-ylethyl)ethanamine
PubChem CID45378002
Molecular FormulaC23H23F3N2O
Molecular Weight400.44 g/mol
Exact Mass400.18
IUPAC Name(1R)-1-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-N-(1-pyridin-2-ylethyl)ethanamine
SMILESCOc1ccc([C@@H](C)NC(C)c2ccccn2)cc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H23F3N2O/c1-15(28-16(2)21-6-4-5-13-27-21)18-9-12-22(29-3)20(14-18)17-7-10-19(11-8-17)23(24,25)26/h4-16,28H,1-3H3/t15-,16?/m1/s1
InChIKeyJECYJQISTFHPPR-AAFJCEBUSA-N
XLogP6.19
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.44
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-[1-(1-pyridin-2-ylethylamino)ethyl]phenol
CID 43202613
(1R)-1-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 69464607
1-(3-fluoro-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81401331
N-(1-pyridin-2-ylethyl)-4-(trifluoromethyl)aniline
CID 43192853
7-methoxy-N-(1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 175159865
(1S)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylethanamine
CID 81393307
2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 162046659
(1S)-1-pyridin-4-yl-N-(1-pyridin-2-ylethyl)ethanamine
CID 81405517
(1R)-1-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 81367216
(1S)-1-(3-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 81366506
1-(3-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
CID 81402285
1-(2-methoxy-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81401623

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-N-(1-pyridin-2-ylethyl)ethanamine?
The IUPAC name of (1R)-1-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-N-(1-pyridin-2-ylethyl)ethanamine (CID 45378002) is (1R)-1-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-N-(1-pyridin-2-ylethyl)ethanamine.
What is the SMILES notation for (1R)-1-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-N-(1-pyridin-2-ylethyl)ethanamine?
The canonical SMILES for (1R)-1-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-N-(1-pyridin-2-ylethyl)ethanamine is COc1ccc([C@@H](C)NC(C)c2ccccn2)cc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (1R)-1-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-N-(1-pyridin-2-ylethyl)ethanamine?
The InChIKey is JECYJQISTFHPPR-AAFJCEBUSA-N. The full InChI is InChI=1S/C23H23F3N2O/c1-15(28-16(2)21-6-4-5-13-27-21)18-9-12-22(29-3)20(14-18)17-7-10-19(11-8-17)23(24,25)26/h4-16,28H,1-3H3/t15-,16?/m1/s1.
What are the key properties of (1R)-1-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-N-(1-pyridin-2-ylethyl)ethanamine?
(1R)-1-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-N-(1-pyridin-2-ylethyl)ethanamine has a molecular weight of 400.44 g/mol, XLogP of 6.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-N-(1-pyridin-2-ylethyl)ethanamine is sourced from PubChem (CID 45378002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).