(3S)-1-benzyl-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]pyrrolidin-3-amine

C22H28N2O2 — CID 30618496

IUPAC(3S)-1-benzyl-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]pyrrolidin-3-amine
SMILESCOc1cc2c(cc1CN[C@H]1CCN(Cc3ccccc3)C1)O[C@H](C)C2
InChIInChI=1S/C22H28N2O2/c1-16-10-18-11-21(25-2)19(12-22(18)26-16)13-23-20-8-9-24(15-20)14-17-6-4-3-5-7-17/h3-7,11-12,16,20,23H,8-10,13-15H2,1-2H3/t16-,20+/m1/s1
InChIKeyZAQDOLYJBIWKRN-UZLBHIALSA-N
MW352.48 g/mol
LogP3.38
Rot. Bonds6

About (3S)-1-benzyl-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]pyrrolidin-3-amine

(3S)-1-benzyl-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]pyrrolidin-3-amine (PubChem CID 30618496) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is (3S)-1-benzyl-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-benzyl-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]pyrrolidin-3-amine
PubChem CID30618496
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name(3S)-1-benzyl-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]pyrrolidin-3-amine
SMILESCOc1cc2c(cc1CN[C@H]1CCN(Cc3ccccc3)C1)O[C@H](C)C2
InChIInChI=1S/C22H28N2O2/c1-16-10-18-11-21(25-2)19(12-22(18)26-16)13-23-20-8-9-24(15-20)14-17-6-4-3-5-7-17/h3-7,11-12,16,20,23H,8-10,13-15H2,1-2H3/t16-,20+/m1/s1
InChIKeyZAQDOLYJBIWKRN-UZLBHIALSA-N
XLogP3.38
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-benzyl-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]pyrrolidin-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

1-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-methylpyrrolidin-3-amine
CID 115349914
1-[(2R)-4-benzylmorpholin-2-yl]-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]methanamine
CID 25474874
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]cyclopentanamine
CID 78910434
2-[4-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]piperidin-1-yl]-N-methylacetamide
CID 38056880
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]oxetan-3-amine
CID 115349694
N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-methylpyrrolidin-3-amine
CID 61461754
(6R)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 95137857
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 103701403
1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pyrrolidin-3-amine
CID 113222195
1-benzyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine-3-carboxamide
CID 60579414
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperidin-1-amine
CID 83006494
1-benzyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]piperidin-3-amine
CID 55684158

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-1-benzyl-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]pyrrolidin-3-amine (CID 30618496) is (3S)-1-benzyl-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-benzyl-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-benzyl-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]pyrrolidin-3-amine is COc1cc2c(cc1CN[C@H]1CCN(Cc3ccccc3)C1)O[C@H](C)C2.
What is the InChIKey of (3S)-1-benzyl-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]pyrrolidin-3-amine?
The InChIKey is ZAQDOLYJBIWKRN-UZLBHIALSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16-10-18-11-21(25-2)19(12-22(18)26-16)13-23-20-8-9-24(15-20)14-17-6-4-3-5-7-17/h3-7,11-12,16,20,23H,8-10,13-15H2,1-2H3/t16-,20+/m1/s1.
What are the key properties of (3S)-1-benzyl-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]pyrrolidin-3-amine?
(3S)-1-benzyl-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]pyrrolidin-3-amine has a molecular weight of 352.48 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 30618496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).