[(3R,4R)-4-phenyl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine

C24H27N3O — CID 120769592

IUPAC[(3R,4R)-4-phenyl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine
SMILESNC[C@@H]1CN(Cc2ccccc2OCc2ccccn2)C[C@H]1c1ccccc1
InChIInChI=1S/C24H27N3O/c25-14-21-16-27(17-23(21)19-8-2-1-3-9-19)15-20-10-4-5-12-24(20)28-18-22-11-6-7-13-26-22/h1-13,21,23H,14-18,25H2/t21-,23+/m1/s1
InChIKeyRJBMDCHIBCIETC-GGAORHGYSA-N
MW373.50 g/mol
LogP3.83
Rot. Bonds7

About [(3R,4R)-4-phenyl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine

[(3R,4R)-4-phenyl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine (PubChem CID 120769592) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is [(3R,4R)-4-phenyl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3R,4R)-4-phenyl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine
PubChem CID120769592
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name[(3R,4R)-4-phenyl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine
SMILESNC[C@@H]1CN(Cc2ccccc2OCc2ccccn2)C[C@H]1c1ccccc1
InChIInChI=1S/C24H27N3O/c25-14-21-16-27(17-23(21)19-8-2-1-3-9-19)15-20-10-4-5-12-24(20)28-18-22-11-6-7-13-26-22/h1-13,21,23H,14-18,25H2/t21-,23+/m1/s1
InChIKeyRJBMDCHIBCIETC-GGAORHGYSA-N
XLogP3.83
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R,4R)-4-phenyl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine with MolForge

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Related Compounds

(3S,4R)-1-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine
CID 120769872
[(3R,4R)-4-phenyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 120758679
(3S,4R)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770365
[(3R,4R)-1-[(6-chloroquinolin-8-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120769662
[(3R,4R)-1-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120758984
1-[1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968337
[(3R,4R)-4-phenyl-1-[(2,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 120769564
(3S,4R)-4-phenyl-1-[(2-prop-2-enoxyphenyl)methyl]pyrrolidin-3-amine
CID 120769958
[(3R,4R)-1-[(2-ethoxy-5-nitrophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120759953
[(3R,4R)-1-[(2-ethylpyrazol-3-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120769405
[(3R,4R)-1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120846631
1-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine
CID 120909087

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-phenyl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [(3R,4R)-4-phenyl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine (CID 120769592) is [(3R,4R)-4-phenyl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3R,4R)-4-phenyl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3R,4R)-4-phenyl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine is NC[C@@H]1CN(Cc2ccccc2OCc2ccccn2)C[C@H]1c1ccccc1.
What is the InChIKey of [(3R,4R)-4-phenyl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is RJBMDCHIBCIETC-GGAORHGYSA-N. The full InChI is InChI=1S/C24H27N3O/c25-14-21-16-27(17-23(21)19-8-2-1-3-9-19)15-20-10-4-5-12-24(20)28-18-22-11-6-7-13-26-22/h1-13,21,23H,14-18,25H2/t21-,23+/m1/s1.
What are the key properties of [(3R,4R)-4-phenyl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine?
[(3R,4R)-4-phenyl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 373.50 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-phenyl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120769592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).