(3R)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine

C20H23F3N2O — CID 11516096

IUPAC(3R)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
SMILESCOc1cccc([C@@H](C)N[C@@H]2CCN(c3cccc(C(F)(F)F)c3)C2)c1
InChIInChI=1S/C20H23F3N2O/c1-14(15-5-3-8-19(11-15)26-2)24-17-9-10-25(13-17)18-7-4-6-16(12-18)20(21,22)23/h3-8,11-12,14,17,24H,9-10,13H2,1-2H3/t14-,17-/m1/s1
InChIKeyVLGGNKXWCVWQQS-RHSMWYFYSA-N
MW364.41 g/mol
LogP4.64
Rot. Bonds5

About (3R)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine

(3R)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine (PubChem CID 11516096) has the molecular formula C20H23F3N2O and a molecular weight of 364.41 g/mol. Its IUPAC name is (3R)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
PubChem CID11516096
Molecular FormulaC20H23F3N2O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name(3R)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
SMILESCOc1cccc([C@@H](C)N[C@@H]2CCN(c3cccc(C(F)(F)F)c3)C2)c1
InChIInChI=1S/C20H23F3N2O/c1-14(15-5-3-8-19(11-15)26-2)24-17-9-10-25(13-17)18-7-4-6-16(12-18)20(21,22)23/h3-8,11-12,14,17,24H,9-10,13H2,1-2H3/t14-,17-/m1/s1
InChIKeyVLGGNKXWCVWQQS-RHSMWYFYSA-N
XLogP4.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methoxyphenyl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 67407391
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine
CID 81376076
N-ethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 43315146
N-[1-(3-methoxyphenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103729416
1-ethyl-N-[1-(3-methoxyphenyl)ethyl]piperidin-3-amine
CID 61171340
N-[1-(3-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 79690675
N-[[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513041
N-[1-(3-methoxyphenyl)ethyl]-1-propan-2-ylazepan-4-amine
CID 65073855
3-methyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 123229345
N-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-amine
CID 117002935
N-[(1R)-1-(3-methoxyphenyl)ethyl]oxan-4-amine
CID 81376724
N-[1-(3-methoxyphenyl)ethyl]thian-4-amine
CID 54863730

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine (CID 11516096) is (3R)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine is COc1cccc([C@@H](C)N[C@@H]2CCN(c3cccc(C(F)(F)F)c3)C2)c1.
What is the InChIKey of (3R)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The InChIKey is VLGGNKXWCVWQQS-RHSMWYFYSA-N. The full InChI is InChI=1S/C20H23F3N2O/c1-14(15-5-3-8-19(11-15)26-2)24-17-9-10-25(13-17)18-7-4-6-16(12-18)20(21,22)23/h3-8,11-12,14,17,24H,9-10,13H2,1-2H3/t14-,17-/m1/s1.
What are the key properties of (3R)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
(3R)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine has a molecular weight of 364.41 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 11516096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).