(3S,4R)-1-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine

C24H27N3O2 — CID 120769872

IUPAC(3S,4R)-1-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine
SMILESCOc1ccc(OCc2ccccn2)c(CN2C[C@@H](N)[C@H](c3ccccc3)C2)c1
InChIInChI=1S/C24H27N3O2/c1-28-21-10-11-24(29-17-20-9-5-6-12-26-20)19(13-21)14-27-15-22(23(25)16-27)18-7-3-2-4-8-18/h2-13,22-23H,14-17,25H2,1H3/t22-,23+/m0/s1
InChIKeyUTPXPVKUDJMQBH-XZOQPEGZSA-N
MW389.50 g/mol
LogP3.60
Rot. Bonds7

About (3S,4R)-1-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine

(3S,4R)-1-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine (PubChem CID 120769872) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is (3S,4R)-1-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-1-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine
PubChem CID120769872
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name(3S,4R)-1-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine
SMILESCOc1ccc(OCc2ccccn2)c(CN2C[C@@H](N)[C@H](c3ccccc3)C2)c1
InChIInChI=1S/C24H27N3O2/c1-28-21-10-11-24(29-17-20-9-5-6-12-26-20)19(13-21)14-27-15-22(23(25)16-27)18-7-3-2-4-8-18/h2-13,22-23H,14-17,25H2,1H3/t22-,23+/m0/s1
InChIKeyUTPXPVKUDJMQBH-XZOQPEGZSA-N
XLogP3.60
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,4R)-1-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4R)-1-[(2,4-dimethoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770144
(3S,4R)-1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-4-phenylpyrrolidin-3-amine
CID 120770236
[(3R,4R)-4-phenyl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 120769592
2-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 126769119
4-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-1,4-thiazepane
CID 75451679
1-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine
CID 120909087
(3S,4R)-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120769852
(3S,4R)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770365
(3aS,6aR)-2-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122045315
(3S,4R)-1-[(2-methoxy-5-nitrophenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120761307
3-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-2-bromo-6-methoxyphenol;hydrochloride
CID 120769853
N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43276444

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-1-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine (CID 120769872) is (3S,4R)-1-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-1-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-1-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine is COc1ccc(OCc2ccccn2)c(CN2C[C@@H](N)[C@H](c3ccccc3)C2)c1.
What is the InChIKey of (3S,4R)-1-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine?
The InChIKey is UTPXPVKUDJMQBH-XZOQPEGZSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-28-21-10-11-24(29-17-20-9-5-6-12-26-20)19(13-21)14-27-15-22(23(25)16-27)18-7-3-2-4-8-18/h2-13,22-23H,14-17,25H2,1H3/t22-,23+/m0/s1.
What are the key properties of (3S,4R)-1-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine?
(3S,4R)-1-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine has a molecular weight of 389.50 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine is sourced from PubChem (CID 120769872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).