(R)-phenyl-[(2R)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol

C17H19NO — CID 134930781

IUPAC(R)-phenyl-[(2R)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol
SMILESC[C@H](c1ccccc1)N1C[C@@H]1[C@H](O)c1ccccc1
InChIInChI=1S/C17H19NO/c1-13(14-8-4-2-5-9-14)18-12-16(18)17(19)15-10-6-3-7-11-15/h2-11,13,16-17,19H,12H2,1H3/t13-,16-,17-,18?/m1/s1
InChIKeyDMUOZEYAHQRKCT-CIYNHRHLSA-N
MW253.35 g/mol
LogP3.17
Rot. Bonds4

About (R)-phenyl-[(2R)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol

(R)-phenyl-[(2R)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol (PubChem CID 134930781) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (R)-phenyl-[(2R)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol.

Molecular Properties

Compound Name(R)-phenyl-[(2R)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol
PubChem CID134930781
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(R)-phenyl-[(2R)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol
SMILESC[C@H](c1ccccc1)N1C[C@@H]1[C@H](O)c1ccccc1
InChIInChI=1S/C17H19NO/c1-13(14-8-4-2-5-9-14)18-12-16(18)17(19)15-10-6-3-7-11-15/h2-11,13,16-17,19H,12H2,1H3/t13-,16-,17-,18?/m1/s1
InChIKeyDMUOZEYAHQRKCT-CIYNHRHLSA-N
XLogP3.17
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (R)-phenyl-[(2R)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol?
The IUPAC name of (R)-phenyl-[(2R)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol (CID 134930781) is (R)-phenyl-[(2R)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol.
What is the SMILES notation for (R)-phenyl-[(2R)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol?
The canonical SMILES for (R)-phenyl-[(2R)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol is C[C@H](c1ccccc1)N1C[C@@H]1[C@H](O)c1ccccc1.
What is the InChIKey of (R)-phenyl-[(2R)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol?
The InChIKey is DMUOZEYAHQRKCT-CIYNHRHLSA-N. The full InChI is InChI=1S/C17H19NO/c1-13(14-8-4-2-5-9-14)18-12-16(18)17(19)15-10-6-3-7-11-15/h2-11,13,16-17,19H,12H2,1H3/t13-,16-,17-,18?/m1/s1.
What are the key properties of (R)-phenyl-[(2R)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol?
(R)-phenyl-[(2R)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol has a molecular weight of 253.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-phenyl-[(2R)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol is sourced from PubChem (CID 134930781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).