(R)-[(2R,5S)-5-[(4-aminophenyl)methyl]pyrrolidin-2-yl]-phenylmethanol

C18H22N2O — CID 53319640

IUPAC(R)-[(2R,5S)-5-[(4-aminophenyl)methyl]pyrrolidin-2-yl]-phenylmethanol
SMILESNc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1
InChIInChI=1S/C18H22N2O/c19-15-8-6-13(7-9-15)12-16-10-11-17(20-16)18(21)14-4-2-1-3-5-14/h1-9,16-18,20-21H,10-12,19H2/t16-,17+,18+/m0/s1
InChIKeyCBVGYKIYIAYXTO-RCCFBDPRSA-N
MW282.39 g/mol
LogP2.67
Rot. Bonds4

About (R)-[(2R,5S)-5-[(4-aminophenyl)methyl]pyrrolidin-2-yl]-phenylmethanol

(R)-[(2R,5S)-5-[(4-aminophenyl)methyl]pyrrolidin-2-yl]-phenylmethanol (PubChem CID 53319640) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is (R)-[(2R,5S)-5-[(4-aminophenyl)methyl]pyrrolidin-2-yl]-phenylmethanol.

Molecular Properties

Compound Name(R)-[(2R,5S)-5-[(4-aminophenyl)methyl]pyrrolidin-2-yl]-phenylmethanol
PubChem CID53319640
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name(R)-[(2R,5S)-5-[(4-aminophenyl)methyl]pyrrolidin-2-yl]-phenylmethanol
SMILESNc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1
InChIInChI=1S/C18H22N2O/c19-15-8-6-13(7-9-15)12-16-10-11-17(20-16)18(21)14-4-2-1-3-5-14/h1-9,16-18,20-21H,10-12,19H2/t16-,17+,18+/m0/s1
InChIKeyCBVGYKIYIAYXTO-RCCFBDPRSA-N
XLogP2.67
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (R)-[(2R,5S)-5-[(4-aminophenyl)methyl]pyrrolidin-2-yl]-phenylmethanol?
The IUPAC name of (R)-[(2R,5S)-5-[(4-aminophenyl)methyl]pyrrolidin-2-yl]-phenylmethanol (CID 53319640) is (R)-[(2R,5S)-5-[(4-aminophenyl)methyl]pyrrolidin-2-yl]-phenylmethanol.
What is the SMILES notation for (R)-[(2R,5S)-5-[(4-aminophenyl)methyl]pyrrolidin-2-yl]-phenylmethanol?
The canonical SMILES for (R)-[(2R,5S)-5-[(4-aminophenyl)methyl]pyrrolidin-2-yl]-phenylmethanol is Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1.
What is the InChIKey of (R)-[(2R,5S)-5-[(4-aminophenyl)methyl]pyrrolidin-2-yl]-phenylmethanol?
The InChIKey is CBVGYKIYIAYXTO-RCCFBDPRSA-N. The full InChI is InChI=1S/C18H22N2O/c19-15-8-6-13(7-9-15)12-16-10-11-17(20-16)18(21)14-4-2-1-3-5-14/h1-9,16-18,20-21H,10-12,19H2/t16-,17+,18+/m0/s1.
What are the key properties of (R)-[(2R,5S)-5-[(4-aminophenyl)methyl]pyrrolidin-2-yl]-phenylmethanol?
(R)-[(2R,5S)-5-[(4-aminophenyl)methyl]pyrrolidin-2-yl]-phenylmethanol has a molecular weight of 282.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(2R,5S)-5-[(4-aminophenyl)methyl]pyrrolidin-2-yl]-phenylmethanol is sourced from PubChem (CID 53319640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).