(1R)-1-(3-methoxyphenyl)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine

C24H24F3NO2 — CID 10341785

IUPAC(1R)-1-(3-methoxyphenyl)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
SMILESCOc1cccc([C@@H](C)NCc2ccc(OC)c(-c3ccc(C(F)(F)F)cc3)c2)c1
InChIInChI=1S/C24H24F3NO2/c1-16(19-5-4-6-21(14-19)29-2)28-15-17-7-12-23(30-3)22(13-17)18-8-10-20(11-9-18)24(25,26)27/h4-14,16,28H,15H2,1-3H3/t16-/m1/s1
InChIKeyWAHHHNYICCZJFL-MRXNPFEDSA-N
MW415.46 g/mol
LogP6.24
Rot. Bonds7

About (1R)-1-(3-methoxyphenyl)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine

(1R)-1-(3-methoxyphenyl)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine (PubChem CID 10341785) has the molecular formula C24H24F3NO2 and a molecular weight of 415.46 g/mol. Its IUPAC name is (1R)-1-(3-methoxyphenyl)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-methoxyphenyl)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
PubChem CID10341785
Molecular FormulaC24H24F3NO2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC Name(1R)-1-(3-methoxyphenyl)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
SMILESCOc1cccc([C@@H](C)NCc2ccc(OC)c(-c3ccc(C(F)(F)F)cc3)c2)c1
InChIInChI=1S/C24H24F3NO2/c1-16(19-5-4-6-21(14-19)29-2)28-15-17-7-12-23(30-3)22(13-17)18-8-10-20(11-9-18)24(25,26)27/h4-14,16,28H,15H2,1-3H3/t16-/m1/s1
InChIKeyWAHHHNYICCZJFL-MRXNPFEDSA-N
XLogP6.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.46
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-(3-methoxyphenyl)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine with MolForge

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Related Compounds

CP-122721
CID 9821217
CJ-17493
CID 11327981
(S)-6,7-Dimethoxy-1-(4-(trifluoromethyl)phenethyl)-1,2,3,4-tetrahydroisoquinoline
CID 44133419
25D-Nbome
CID 118536027
1-(2-(2-(Difluoromethoxy)phenyl)-1-phenylethyl)piperazine (enantiomeric mix)
CID 46890395
(2S,3S)-N-(((S)-6-methoxy-1-methyl-1-(trifluoromethyl)-3,4-dihydro-1H-isochromen-7-yl)methyl)-2-phenylpiperidin-3-amine
CID 15516313
(2S,3S)-2-Phenyl-3-(5-(2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-2-methoxybenzyl)aminopiperidine
CID 15549736
(2S,3S)-3-(2-Methoxy-5-(2,2,2-trifluoroethyl)benzyl)amino-2-phenylpiperidine
CID 15549737
(S,3S)-3-[5-(1,1-Dimethyl-2,2,2-trifluoroethyl)-2-methoxybenzylamino]-2-phenylpiperidine
CID 44433394
(2S,3S)-N-[[2-methoxy-5-(1,1,1-trifluoropropan-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 44577989
(2S,3S)-N-[[6-methoxy-3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]methyl]-2-phenylpiperidin-3-amine
CID 44578095
(2S,3S)-N-((6-methoxy-3-methyl-3-(trifluoromethyl)-1,3-dihydroisobenzofuran-5-yl)methyl)-2-phenylpiperidin-3-amine
CID 44593632

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-methoxyphenyl)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine?
The IUPAC name of (1R)-1-(3-methoxyphenyl)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine (CID 10341785) is (1R)-1-(3-methoxyphenyl)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-methoxyphenyl)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine?
The canonical SMILES for (1R)-1-(3-methoxyphenyl)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine is COc1cccc([C@@H](C)NCc2ccc(OC)c(-c3ccc(C(F)(F)F)cc3)c2)c1.
What is the InChIKey of (1R)-1-(3-methoxyphenyl)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine?
The InChIKey is WAHHHNYICCZJFL-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H24F3NO2/c1-16(19-5-4-6-21(14-19)29-2)28-15-17-7-12-23(30-3)22(13-17)18-8-10-20(11-9-18)24(25,26)27/h4-14,16,28H,15H2,1-3H3/t16-/m1/s1.
What are the key properties of (1R)-1-(3-methoxyphenyl)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine?
(1R)-1-(3-methoxyphenyl)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine has a molecular weight of 415.46 g/mol, XLogP of 6.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-methoxyphenyl)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 10341785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).