(3R)-1-[(3-aminophenyl)methyl]pyrrolidin-3-ol

C11H16N2O — CID 94895457

IUPAC(3R)-1-[(3-aminophenyl)methyl]pyrrolidin-3-ol
SMILESNc1cccc(CN2CC[C@@H](O)C2)c1
InChIInChI=1S/C11H16N2O/c12-10-3-1-2-9(6-10)7-13-5-4-11(14)8-13/h1-3,6,11,14H,4-5,7-8,12H2/t11-/m1/s1
InChIKeyQIAXXHVLJQQATR-LLVKDONJSA-N
MW192.26 g/mol
LogP0.84
Rot. Bonds2

About (3R)-1-[(3-aminophenyl)methyl]pyrrolidin-3-ol

(3R)-1-[(3-aminophenyl)methyl]pyrrolidin-3-ol (PubChem CID 94895457) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (3R)-1-[(3-aminophenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(3-aminophenyl)methyl]pyrrolidin-3-ol
PubChem CID94895457
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(3R)-1-[(3-aminophenyl)methyl]pyrrolidin-3-ol
SMILESNc1cccc(CN2CC[C@@H](O)C2)c1
InChIInChI=1S/C11H16N2O/c12-10-3-1-2-9(6-10)7-13-5-4-11(14)8-13/h1-3,6,11,14H,4-5,7-8,12H2/t11-/m1/s1
InChIKeyQIAXXHVLJQQATR-LLVKDONJSA-N
XLogP0.84
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-aminophenyl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(3-aminophenyl)methyl]pyrrolidin-3-ol (CID 94895457) is (3R)-1-[(3-aminophenyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(3-aminophenyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(3-aminophenyl)methyl]pyrrolidin-3-ol is Nc1cccc(CN2CC[C@@H](O)C2)c1.
What is the InChIKey of (3R)-1-[(3-aminophenyl)methyl]pyrrolidin-3-ol?
The InChIKey is QIAXXHVLJQQATR-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16N2O/c12-10-3-1-2-9(6-10)7-13-5-4-11(14)8-13/h1-3,6,11,14H,4-5,7-8,12H2/t11-/m1/s1.
What are the key properties of (3R)-1-[(3-aminophenyl)methyl]pyrrolidin-3-ol?
(3R)-1-[(3-aminophenyl)methyl]pyrrolidin-3-ol has a molecular weight of 192.26 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3-aminophenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 94895457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).