(R)-[(2R)-5-[(4-aminophenyl)methyl]-3,4-dihydro-2H-pyrrol-2-yl]-phenylmethanol

C18H20N2O — CID 71606626

IUPAC(R)-[(2R)-5-[(4-aminophenyl)methyl]-3,4-dihydro-2H-pyrrol-2-yl]-phenylmethanol
SMILESNc1ccc(CC2=N[C@@H]([C@H](O)c3ccccc3)CC2)cc1
InChIInChI=1S/C18H20N2O/c19-15-8-6-13(7-9-15)12-16-10-11-17(20-16)18(21)14-4-2-1-3-5-14/h1-9,17-18,21H,10-12,19H2/t17-,18-/m1/s1
InChIKeyJQKLKFODXFQPAW-QZTJIDSGSA-N
MW280.37 g/mol
LogP3.15
Rot. Bonds4

About (R)-[(2R)-5-[(4-aminophenyl)methyl]-3,4-dihydro-2H-pyrrol-2-yl]-phenylmethanol

(R)-[(2R)-5-[(4-aminophenyl)methyl]-3,4-dihydro-2H-pyrrol-2-yl]-phenylmethanol (PubChem CID 71606626) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (R)-[(2R)-5-[(4-aminophenyl)methyl]-3,4-dihydro-2H-pyrrol-2-yl]-phenylmethanol.

Molecular Properties

Compound Name(R)-[(2R)-5-[(4-aminophenyl)methyl]-3,4-dihydro-2H-pyrrol-2-yl]-phenylmethanol
PubChem CID71606626
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(R)-[(2R)-5-[(4-aminophenyl)methyl]-3,4-dihydro-2H-pyrrol-2-yl]-phenylmethanol
SMILESNc1ccc(CC2=N[C@@H]([C@H](O)c3ccccc3)CC2)cc1
InChIInChI=1S/C18H20N2O/c19-15-8-6-13(7-9-15)12-16-10-11-17(20-16)18(21)14-4-2-1-3-5-14/h1-9,17-18,21H,10-12,19H2/t17-,18-/m1/s1
InChIKeyJQKLKFODXFQPAW-QZTJIDSGSA-N
XLogP3.15
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
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)-5-[(4-aminophenyl)methyl]-3,4-dihydro-2H-pyrrol-2-yl]-phenylmethanol?
The IUPAC name of (R)-[(2R)-5-[(4-aminophenyl)methyl]-3,4-dihydro-2H-pyrrol-2-yl]-phenylmethanol (CID 71606626) is (R)-[(2R)-5-[(4-aminophenyl)methyl]-3,4-dihydro-2H-pyrrol-2-yl]-phenylmethanol.
What is the SMILES notation for (R)-[(2R)-5-[(4-aminophenyl)methyl]-3,4-dihydro-2H-pyrrol-2-yl]-phenylmethanol?
The canonical SMILES for (R)-[(2R)-5-[(4-aminophenyl)methyl]-3,4-dihydro-2H-pyrrol-2-yl]-phenylmethanol is Nc1ccc(CC2=N[C@@H]([C@H](O)c3ccccc3)CC2)cc1.
What is the InChIKey of (R)-[(2R)-5-[(4-aminophenyl)methyl]-3,4-dihydro-2H-pyrrol-2-yl]-phenylmethanol?
The InChIKey is JQKLKFODXFQPAW-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H20N2O/c19-15-8-6-13(7-9-15)12-16-10-11-17(20-16)18(21)14-4-2-1-3-5-14/h1-9,17-18,21H,10-12,19H2/t17-,18-/m1/s1.
What are the key properties of (R)-[(2R)-5-[(4-aminophenyl)methyl]-3,4-dihydro-2H-pyrrol-2-yl]-phenylmethanol?
(R)-[(2R)-5-[(4-aminophenyl)methyl]-3,4-dihydro-2H-pyrrol-2-yl]-phenylmethanol has a molecular weight of 280.37 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(2R)-5-[(4-aminophenyl)methyl]-3,4-dihydro-2H-pyrrol-2-yl]-phenylmethanol is sourced from PubChem (CID 71606626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).