1-amino-2,2-diphenyl-2-pyrrolidin-3-ylethanol

C18H22N2O — CID 143839334

IUPAC1-amino-2,2-diphenyl-2-pyrrolidin-3-ylethanol
SMILESNC(O)C(c1ccccc1)(c1ccccc1)C1CCNC1
InChIInChI=1S/C18H22N2O/c19-17(21)18(16-11-12-20-13-16,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-17,20-21H,11-13,19H2
InChIKeyVALCHVGNYUUYFC-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.86
Rot. Bonds4

About 1-amino-2,2-diphenyl-2-pyrrolidin-3-ylethanol

1-amino-2,2-diphenyl-2-pyrrolidin-3-ylethanol (PubChem CID 143839334) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-amino-2,2-diphenyl-2-pyrrolidin-3-ylethanol.

Molecular Properties

Compound Name1-amino-2,2-diphenyl-2-pyrrolidin-3-ylethanol
PubChem CID143839334
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-amino-2,2-diphenyl-2-pyrrolidin-3-ylethanol
SMILESNC(O)C(c1ccccc1)(c1ccccc1)C1CCNC1
InChIInChI=1S/C18H22N2O/c19-17(21)18(16-11-12-20-13-16,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-17,20-21H,11-13,19H2
InChIKeyVALCHVGNYUUYFC-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2,2-diphenyl-2-pyrrolidin-3-ylethanol?
The IUPAC name of 1-amino-2,2-diphenyl-2-pyrrolidin-3-ylethanol (CID 143839334) is 1-amino-2,2-diphenyl-2-pyrrolidin-3-ylethanol.
What is the SMILES notation for 1-amino-2,2-diphenyl-2-pyrrolidin-3-ylethanol?
The canonical SMILES for 1-amino-2,2-diphenyl-2-pyrrolidin-3-ylethanol is NC(O)C(c1ccccc1)(c1ccccc1)C1CCNC1.
What is the InChIKey of 1-amino-2,2-diphenyl-2-pyrrolidin-3-ylethanol?
The InChIKey is VALCHVGNYUUYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c19-17(21)18(16-11-12-20-13-16,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-17,20-21H,11-13,19H2.
What are the key properties of 1-amino-2,2-diphenyl-2-pyrrolidin-3-ylethanol?
1-amino-2,2-diphenyl-2-pyrrolidin-3-ylethanol has a molecular weight of 282.39 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,2-diphenyl-2-pyrrolidin-3-ylethanol is sourced from PubChem (CID 143839334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).