(3R,4R)-4-anilino-1-benzylpyrrolidin-3-ol

C17H20N2O — CID 59394921

IUPAC(3R,4R)-4-anilino-1-benzylpyrrolidin-3-ol
SMILESO[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1ccccc1
InChIInChI=1S/C17H20N2O/c20-17-13-19(11-14-7-3-1-4-8-14)12-16(17)18-15-9-5-2-6-10-15/h1-10,16-18,20H,11-13H2/t16-,17-/m1/s1
InChIKeyUHXFTLICDFHTGJ-IAGOWNOFSA-N
MW268.36 g/mol
LogP2.34
Rot. Bonds4

About (3R,4R)-4-anilino-1-benzylpyrrolidin-3-ol

(3R,4R)-4-anilino-1-benzylpyrrolidin-3-ol (PubChem CID 59394921) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is (3R,4R)-4-anilino-1-benzylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-anilino-1-benzylpyrrolidin-3-ol
PubChem CID59394921
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name(3R,4R)-4-anilino-1-benzylpyrrolidin-3-ol
SMILESO[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1ccccc1
InChIInChI=1S/C17H20N2O/c20-17-13-19(11-14-7-3-1-4-8-14)12-16(17)18-15-9-5-2-6-10-15/h1-10,16-18,20H,11-13H2/t16-,17-/m1/s1
InChIKeyUHXFTLICDFHTGJ-IAGOWNOFSA-N
XLogP2.34
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[(3R,4R)-1-benzyl-4-hydroxypyrrolidin-3-yl]amino]benzoate
CID 24783887
1-benzylazepane-3,4,5,6-tetrol
CID 18417354
(3S,4R,5R,6S)-1-benzylazepane-3,4,5,6-tetrol
CID 10824756
(3R,4R)-1-benzyl-4-(butylamino)pyrrolidin-3-ol
CID 24783882
(3S,4S)-1-benzyl-4-(2-methylanilino)piperidin-3-ol
CID 67312130
N-[(3R,4R)-1-benzyl-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide
CID 110133026
1-benzyl-4-phenylpyrrolidin-3-ol
CID 12044053
1-benzyl-N-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-3-amine
CID 11661832
(3S,4S,5S)-1-benzyl-5-(hydroxymethyl)piperidine-3,4-diol;N-phenylaniline
CID 70297572
(3R,4R,5R)-1-benzyl-5-(hydroxymethyl)piperidine-3,4-diol;N-phenylaniline
CID 70294835
(3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol
CID 11579361
1-benzyl-4-ethylpyrrolidin-3-ol
CID 18939335

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-anilino-1-benzylpyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-anilino-1-benzylpyrrolidin-3-ol (CID 59394921) is (3R,4R)-4-anilino-1-benzylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-anilino-1-benzylpyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-anilino-1-benzylpyrrolidin-3-ol is O[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1ccccc1.
What is the InChIKey of (3R,4R)-4-anilino-1-benzylpyrrolidin-3-ol?
The InChIKey is UHXFTLICDFHTGJ-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H20N2O/c20-17-13-19(11-14-7-3-1-4-8-14)12-16(17)18-15-9-5-2-6-10-15/h1-10,16-18,20H,11-13H2/t16-,17-/m1/s1.
What are the key properties of (3R,4R)-4-anilino-1-benzylpyrrolidin-3-ol?
(3R,4R)-4-anilino-1-benzylpyrrolidin-3-ol has a molecular weight of 268.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-anilino-1-benzylpyrrolidin-3-ol is sourced from PubChem (CID 59394921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).