(3S)-N-[(2-methoxyphenyl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine

C20H23F3N2O — CID 91547218

IUPAC(3S)-N-[(2-methoxyphenyl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
SMILESCOc1ccccc1CN[C@H]1CCN(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C20H23F3N2O/c1-26-19-9-5-3-6-15(19)12-24-17-10-11-25(14-17)13-16-7-2-4-8-18(16)20(21,22)23/h2-9,17,24H,10-14H2,1H3/t17-/m0/s1
InChIKeyXFHQTQDAJQJTKU-KRWDZBQOSA-N
MW364.41 g/mol
LogP4.08
Rot. Bonds6

About (3S)-N-[(2-methoxyphenyl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine

(3S)-N-[(2-methoxyphenyl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine (PubChem CID 91547218) has the molecular formula C20H23F3N2O and a molecular weight of 364.41 g/mol. Its IUPAC name is (3S)-N-[(2-methoxyphenyl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-[(2-methoxyphenyl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
PubChem CID91547218
Molecular FormulaC20H23F3N2O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name(3S)-N-[(2-methoxyphenyl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
SMILESCOc1ccccc1CN[C@H]1CCN(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C20H23F3N2O/c1-26-19-9-5-3-6-15(19)12-24-17-10-11-25(14-17)13-16-7-2-4-8-18(16)20(21,22)23/h2-9,17,24H,10-14H2,1H3/t17-/m0/s1
InChIKeyXFHQTQDAJQJTKU-KRWDZBQOSA-N
XLogP4.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 55378502
N-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 62880119
1-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 61171918
1-[(2-methoxyphenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 57251880
N-[(2-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine;hydrobromide
CID 75531292
N,N-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 90269557
N-(2-methoxyphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 37179444
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 24904459
N-[(2-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331524
4-chloro-1-[(2-methoxyphenyl)methyl]piperidine
CID 63389508
N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine
CID 63250554
1-[(2,3-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 113281872

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2-methoxyphenyl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-N-[(2-methoxyphenyl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine (CID 91547218) is (3S)-N-[(2-methoxyphenyl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-[(2-methoxyphenyl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-N-[(2-methoxyphenyl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine is COc1ccccc1CN[C@H]1CCN(Cc2ccccc2C(F)(F)F)C1.
What is the InChIKey of (3S)-N-[(2-methoxyphenyl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The InChIKey is XFHQTQDAJQJTKU-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23F3N2O/c1-26-19-9-5-3-6-15(19)12-24-17-10-11-25(14-17)13-16-7-2-4-8-18(16)20(21,22)23/h2-9,17,24H,10-14H2,1H3/t17-/m0/s1.
What are the key properties of (3S)-N-[(2-methoxyphenyl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
(3S)-N-[(2-methoxyphenyl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine has a molecular weight of 364.41 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2-methoxyphenyl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 91547218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).