(2S,3R)-2-benzyl-1-(furan-3-ylmethyl)-N-methyl-N-propan-2-ylpyrrolidin-3-amine

C20H28N2O — CID 97384278

IUPAC(2S,3R)-2-benzyl-1-(furan-3-ylmethyl)-N-methyl-N-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N(C)[C@@H]1CCN(Cc2ccoc2)[C@H]1Cc1ccccc1
InChIInChI=1S/C20H28N2O/c1-16(2)21(3)19-9-11-22(14-18-10-12-23-15-18)20(19)13-17-7-5-4-6-8-17/h4-8,10,12,15-16,19-20H,9,11,13-14H2,1-3H3/t19-,20+/m1/s1
InChIKeyUNVSAPKLPDXXFD-UXHICEINSA-N
MW312.46 g/mol
LogP3.81
Rot. Bonds6

About (2S,3R)-2-benzyl-1-(furan-3-ylmethyl)-N-methyl-N-propan-2-ylpyrrolidin-3-amine

(2S,3R)-2-benzyl-1-(furan-3-ylmethyl)-N-methyl-N-propan-2-ylpyrrolidin-3-amine (PubChem CID 97384278) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is (2S,3R)-2-benzyl-1-(furan-3-ylmethyl)-N-methyl-N-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(2S,3R)-2-benzyl-1-(furan-3-ylmethyl)-N-methyl-N-propan-2-ylpyrrolidin-3-amine
PubChem CID97384278
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name(2S,3R)-2-benzyl-1-(furan-3-ylmethyl)-N-methyl-N-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N(C)[C@@H]1CCN(Cc2ccoc2)[C@H]1Cc1ccccc1
InChIInChI=1S/C20H28N2O/c1-16(2)21(3)19-9-11-22(14-18-10-12-23-15-18)20(19)13-17-7-5-4-6-8-17/h4-8,10,12,15-16,19-20H,9,11,13-14H2,1-3H3/t19-,20+/m1/s1
InChIKeyUNVSAPKLPDXXFD-UXHICEINSA-N
XLogP3.81
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.81
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-1-(furan-3-ylmethyl)-N-methyl-N-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of (2S,3R)-2-benzyl-1-(furan-3-ylmethyl)-N-methyl-N-propan-2-ylpyrrolidin-3-amine (CID 97384278) is (2S,3R)-2-benzyl-1-(furan-3-ylmethyl)-N-methyl-N-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (2S,3R)-2-benzyl-1-(furan-3-ylmethyl)-N-methyl-N-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for (2S,3R)-2-benzyl-1-(furan-3-ylmethyl)-N-methyl-N-propan-2-ylpyrrolidin-3-amine is CC(C)N(C)[C@@H]1CCN(Cc2ccoc2)[C@H]1Cc1ccccc1.
What is the InChIKey of (2S,3R)-2-benzyl-1-(furan-3-ylmethyl)-N-methyl-N-propan-2-ylpyrrolidin-3-amine?
The InChIKey is UNVSAPKLPDXXFD-UXHICEINSA-N. The full InChI is InChI=1S/C20H28N2O/c1-16(2)21(3)19-9-11-22(14-18-10-12-23-15-18)20(19)13-17-7-5-4-6-8-17/h4-8,10,12,15-16,19-20H,9,11,13-14H2,1-3H3/t19-,20+/m1/s1.
What are the key properties of (2S,3R)-2-benzyl-1-(furan-3-ylmethyl)-N-methyl-N-propan-2-ylpyrrolidin-3-amine?
(2S,3R)-2-benzyl-1-(furan-3-ylmethyl)-N-methyl-N-propan-2-ylpyrrolidin-3-amine has a molecular weight of 312.46 g/mol, XLogP of 3.81, 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-1-(furan-3-ylmethyl)-N-methyl-N-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 97384278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).