(1R)-N-[[4-methoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-1-phenylethanamine

C22H21F3N2O — CID 10452724

IUPAC(1R)-N-[[4-methoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-1-phenylethanamine
SMILESCOc1ccc(CN[C@H](C)c2ccccc2)cc1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C22H21F3N2O/c1-15(17-6-4-3-5-7-17)26-13-16-8-10-20(28-2)19(12-16)18-9-11-21(27-14-18)22(23,24)25/h3-12,14-15,26H,13H2,1-2H3/t15-/m1/s1
InChIKeyUGWMKLSZBLVUJS-OAHLLOKOSA-N
MW386.42 g/mol
LogP5.63
Rot. Bonds6

About (1R)-N-[[4-methoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-1-phenylethanamine

(1R)-N-[[4-methoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-1-phenylethanamine (PubChem CID 10452724) has the molecular formula C22H21F3N2O and a molecular weight of 386.42 g/mol. Its IUPAC name is (1R)-N-[[4-methoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[[4-methoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-1-phenylethanamine
PubChem CID10452724
Molecular FormulaC22H21F3N2O
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC Name(1R)-N-[[4-methoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-1-phenylethanamine
SMILESCOc1ccc(CN[C@H](C)c2ccccc2)cc1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C22H21F3N2O/c1-15(17-6-4-3-5-7-17)26-13-16-8-10-20(28-2)19(12-16)18-9-11-21(27-14-18)22(23,24)25/h3-12,14-15,26H,13H2,1-2H3/t15-/m1/s1
InChIKeyUGWMKLSZBLVUJS-OAHLLOKOSA-N
XLogP5.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.42
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-N-[[4-methoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-1-phenylethanamine with MolForge

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Related Compounds

N-[[4-methoxy-3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine
CID 20803287
(1R)-N-[[4-methoxy-3-(4-methylphenyl)phenyl]methyl]-1-phenylethanamine
CID 58833177
N-[[4-methoxy-3-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]methyl]-1-phenylethanamine
CID 22391479
(1R)-N-[[4-(2-methoxyethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine
CID 10387924
(1R)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenylethanamine;2,2,2-trifluoroacetic acid
CID 175721011
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine
CID 55257635
N-[(4-methoxy-3-pyrimidin-5-ylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 22391257
(1R)-1-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 69464607
N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxyphenyl]methyl]-1-phenylethanamine
CID 22391534
N-[[3-(4-fluorophenyl)-4-methoxyphenyl]methyl]-1-(4-methoxyphenyl)ethanamine
CID 22391215
(1S)-N-[(4-methoxy-3-nitrophenyl)methyl]-1-phenylethanamine
CID 29048125
2-[2-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide
CID 7384832

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[4-methoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-1-phenylethanamine?
The IUPAC name of (1R)-N-[[4-methoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-1-phenylethanamine (CID 10452724) is (1R)-N-[[4-methoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[[4-methoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-1-phenylethanamine?
The canonical SMILES for (1R)-N-[[4-methoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-1-phenylethanamine is COc1ccc(CN[C@H](C)c2ccccc2)cc1-c1ccc(C(F)(F)F)nc1.
What is the InChIKey of (1R)-N-[[4-methoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-1-phenylethanamine?
The InChIKey is UGWMKLSZBLVUJS-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H21F3N2O/c1-15(17-6-4-3-5-7-17)26-13-16-8-10-20(28-2)19(12-16)18-9-11-21(27-14-18)22(23,24)25/h3-12,14-15,26H,13H2,1-2H3/t15-/m1/s1.
What are the key properties of (1R)-N-[[4-methoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-1-phenylethanamine?
(1R)-N-[[4-methoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-1-phenylethanamine has a molecular weight of 386.42 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[4-methoxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-1-phenylethanamine is sourced from PubChem (CID 10452724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).