(2S,3R)-2-benzyl-N-methyl-1-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine

C21H30N2O — CID 97384282

IUPAC(2S,3R)-2-benzyl-N-methyl-1-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine
SMILESCc1ccc(CN2CC[C@@H](N(C)C(C)C)[C@@H]2Cc2ccccc2)o1
InChIInChI=1S/C21H30N2O/c1-16(2)22(4)20-12-13-23(15-19-11-10-17(3)24-19)21(20)14-18-8-6-5-7-9-18/h5-11,16,20-21H,12-15H2,1-4H3/t20-,21+/m1/s1
InChIKeyCXBMTXNVZZYVEJ-RTWAWAEBSA-N
MW326.48 g/mol
LogP4.11
Rot. Bonds6

About (2S,3R)-2-benzyl-N-methyl-1-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine

(2S,3R)-2-benzyl-N-methyl-1-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine (PubChem CID 97384282) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is (2S,3R)-2-benzyl-N-methyl-1-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(2S,3R)-2-benzyl-N-methyl-1-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine
PubChem CID97384282
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Name(2S,3R)-2-benzyl-N-methyl-1-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine
SMILESCc1ccc(CN2CC[C@@H](N(C)C(C)C)[C@@H]2Cc2ccccc2)o1
InChIInChI=1S/C21H30N2O/c1-16(2)22(4)20-12-13-23(15-19-11-10-17(3)24-19)21(20)14-18-8-6-5-7-9-18/h5-11,16,20-21H,12-15H2,1-4H3/t20-,21+/m1/s1
InChIKeyCXBMTXNVZZYVEJ-RTWAWAEBSA-N
XLogP4.11
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-benzyl-N-methyl-1-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of (2S,3R)-2-benzyl-N-methyl-1-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine (CID 97384282) is (2S,3R)-2-benzyl-N-methyl-1-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (2S,3R)-2-benzyl-N-methyl-1-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for (2S,3R)-2-benzyl-N-methyl-1-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine is Cc1ccc(CN2CC[C@@H](N(C)C(C)C)[C@@H]2Cc2ccccc2)o1.
What is the InChIKey of (2S,3R)-2-benzyl-N-methyl-1-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine?
The InChIKey is CXBMTXNVZZYVEJ-RTWAWAEBSA-N. The full InChI is InChI=1S/C21H30N2O/c1-16(2)22(4)20-12-13-23(15-19-11-10-17(3)24-19)21(20)14-18-8-6-5-7-9-18/h5-11,16,20-21H,12-15H2,1-4H3/t20-,21+/m1/s1.
What are the key properties of (2S,3R)-2-benzyl-N-methyl-1-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine?
(2S,3R)-2-benzyl-N-methyl-1-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine has a molecular weight of 326.48 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-benzyl-N-methyl-1-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 97384282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).