(3S,4R)-1-benzyl-N-methyl-4-phenylpyrrolidin-3-amine

C18H22N2 — CID 59840122

IUPAC(3S,4R)-1-benzyl-N-methyl-4-phenylpyrrolidin-3-amine
SMILESCN[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1
InChIInChI=1S/C18H22N2/c1-19-18-14-20(12-15-8-4-2-5-9-15)13-17(18)16-10-6-3-7-11-16/h2-11,17-19H,12-14H2,1H3/t17-,18+/m0/s1
InChIKeyVQMLBGLBCKQVTI-ZWKOTPCHSA-N
MW266.39 g/mol
LogP2.87
Rot. Bonds4

About (3S,4R)-1-benzyl-N-methyl-4-phenylpyrrolidin-3-amine

(3S,4R)-1-benzyl-N-methyl-4-phenylpyrrolidin-3-amine (PubChem CID 59840122) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is (3S,4R)-1-benzyl-N-methyl-4-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-1-benzyl-N-methyl-4-phenylpyrrolidin-3-amine
PubChem CID59840122
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name(3S,4R)-1-benzyl-N-methyl-4-phenylpyrrolidin-3-amine
SMILESCN[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1
InChIInChI=1S/C18H22N2/c1-19-18-14-20(12-15-8-4-2-5-9-15)13-17(18)16-10-6-3-7-11-16/h2-11,17-19H,12-14H2,1H3/t17-,18+/m0/s1
InChIKeyVQMLBGLBCKQVTI-ZWKOTPCHSA-N
XLogP2.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-N,1-dibenzyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 73350587
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
1,3-bis[(3R,4S)-1-benzyl-4-phenylpyrrolidin-3-yl]urea
CID 102127410
1-benzyl-3-methyl-4-phenylpyrrolidine
CID 3522572
(4S)-1-benzyl-3-methyl-4-phenylpyrrolidine
CID 71104653
1-benzyl-4-phenylpyrrolidin-3-ol
CID 12044053
N-[(3S,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]-2-chloropropanamide
CID 146098682
tert-butyl N-[(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]carbamate
CID 124748766
(3R,4R)-N,1-dibenzyl-3-phenylpiperidin-4-amine
CID 7450726
(3S,4S)-N,1-dibenzyl-3-phenylpiperidin-4-amine
CID 11905043
4-[[(3S,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]amino]cyclohexane-1-carboxylic acid
CID 122033996
1-benzyl-3,5-dimethyl-4-phenylpiperidine
CID 141122584

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-benzyl-N-methyl-4-phenylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-1-benzyl-N-methyl-4-phenylpyrrolidin-3-amine (CID 59840122) is (3S,4R)-1-benzyl-N-methyl-4-phenylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-1-benzyl-N-methyl-4-phenylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-1-benzyl-N-methyl-4-phenylpyrrolidin-3-amine is CN[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-1-benzyl-N-methyl-4-phenylpyrrolidin-3-amine?
The InChIKey is VQMLBGLBCKQVTI-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H22N2/c1-19-18-14-20(12-15-8-4-2-5-9-15)13-17(18)16-10-6-3-7-11-16/h2-11,17-19H,12-14H2,1H3/t17-,18+/m0/s1.
What are the key properties of (3S,4R)-1-benzyl-N-methyl-4-phenylpyrrolidin-3-amine?
(3S,4R)-1-benzyl-N-methyl-4-phenylpyrrolidin-3-amine has a molecular weight of 266.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-benzyl-N-methyl-4-phenylpyrrolidin-3-amine is sourced from PubChem (CID 59840122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).