(3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)pyrrolidin-3-amine

C24H26N2O — CID 129353823

IUPAC(3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)pyrrolidin-3-amine
SMILESN[C@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C24H26N2O/c25-24-17-26(15-19-8-3-1-4-9-19)16-23(24)21-12-7-13-22(14-21)27-18-20-10-5-2-6-11-20/h1-14,23-24H,15-18,25H2/t23-,24-/m0/s1
InChIKeyPMVUKWUXUVWXEP-ZEQRLZLVSA-N
MW358.49 g/mol
LogP4.19
Rot. Bonds6

About (3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)pyrrolidin-3-amine

(3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)pyrrolidin-3-amine (PubChem CID 129353823) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is (3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)pyrrolidin-3-amine
PubChem CID129353823
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name(3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)pyrrolidin-3-amine
SMILESN[C@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C24H26N2O/c25-24-17-26(15-19-8-3-1-4-9-19)16-23(24)21-12-7-13-22(14-21)27-18-20-10-5-2-6-11-20/h1-14,23-24H,15-18,25H2/t23-,24-/m0/s1
InChIKeyPMVUKWUXUVWXEP-ZEQRLZLVSA-N
XLogP4.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)piperidin-3-ol
CID 131850383
methyl (3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)pyrrolidine-3-carboxylate
CID 58977900
(3S,4R)-4-phenyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 120770063
(3S,4R)-1-[[3-(2-methoxyethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120770211
(4R)-1-benzyl-4-(3,5-difluorophenyl)pyrrolidin-3-amine
CID 146550494
1-benzyl-4-(3,5-dichlorophenyl)pyrrolidin-3-amine
CID 131117119
(3S,4R)-1-[[4-(2,2-difluoroethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine
CID 120770114
(3S,4R)-1-[[4-(2-methoxyethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine
CID 120770232
1-benzyl-3-(naphthalen-2-ylmethoxy)-4-(3-phenylmethoxyphenyl)piperidine;2-(bromomethyl)naphthalene
CID 157424793
(3S,4R)-1-[[4-(difluoromethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120761188
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
1-benzyl-3-(3-chlorophenyl)piperidin-4-amine
CID 11601858

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)pyrrolidin-3-amine?
The IUPAC name of (3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)pyrrolidin-3-amine (CID 129353823) is (3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)pyrrolidin-3-amine?
The canonical SMILES for (3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)pyrrolidin-3-amine is N[C@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(OCc2ccccc2)c1.
What is the InChIKey of (3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)pyrrolidin-3-amine?
The InChIKey is PMVUKWUXUVWXEP-ZEQRLZLVSA-N. The full InChI is InChI=1S/C24H26N2O/c25-24-17-26(15-19-8-3-1-4-9-19)16-23(24)21-12-7-13-22(14-21)27-18-20-10-5-2-6-11-20/h1-14,23-24H,15-18,25H2/t23-,24-/m0/s1.
What are the key properties of (3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)pyrrolidin-3-amine?
(3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)pyrrolidin-3-amine has a molecular weight of 358.49 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 129353823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).