(S)-(2,3-diphenyl-1-propylaziridin-2-yl)-phenylmethanol

C24H25NO — CID 134836713

IUPAC(S)-(2,3-diphenyl-1-propylaziridin-2-yl)-phenylmethanol
SMILESCCCN1C(c2ccccc2)C1(c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C24H25NO/c1-2-18-25-22(19-12-6-3-7-13-19)24(25,21-16-10-5-11-17-21)23(26)20-14-8-4-9-15-20/h3-17,22-23,26H,2,18H2,1H3/t22?,23-,24?,25?/m0/s1
InChIKeyDNTXMJHUKMIQSE-IYQSZBERSA-N
MW343.47 g/mol
LogP5.08
Rot. Bonds6

About (S)-(2,3-diphenyl-1-propylaziridin-2-yl)-phenylmethanol

(S)-(2,3-diphenyl-1-propylaziridin-2-yl)-phenylmethanol (PubChem CID 134836713) has the molecular formula C24H25NO and a molecular weight of 343.47 g/mol. Its IUPAC name is (S)-(2,3-diphenyl-1-propylaziridin-2-yl)-phenylmethanol.

Molecular Properties

Compound Name(S)-(2,3-diphenyl-1-propylaziridin-2-yl)-phenylmethanol
PubChem CID134836713
Molecular FormulaC24H25NO
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC Name(S)-(2,3-diphenyl-1-propylaziridin-2-yl)-phenylmethanol
SMILESCCCN1C(c2ccccc2)C1(c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C24H25NO/c1-2-18-25-22(19-12-6-3-7-13-19)24(25,21-16-10-5-11-17-21)23(26)20-14-8-4-9-15-20/h3-17,22-23,26H,2,18H2,1H3/t22?,23-,24?,25?/m0/s1
InChIKeyDNTXMJHUKMIQSE-IYQSZBERSA-N
XLogP5.08
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 55.08
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 (S)-(2,3-diphenyl-1-propylaziridin-2-yl)-phenylmethanol?
The IUPAC name of (S)-(2,3-diphenyl-1-propylaziridin-2-yl)-phenylmethanol (CID 134836713) is (S)-(2,3-diphenyl-1-propylaziridin-2-yl)-phenylmethanol.
What is the SMILES notation for (S)-(2,3-diphenyl-1-propylaziridin-2-yl)-phenylmethanol?
The canonical SMILES for (S)-(2,3-diphenyl-1-propylaziridin-2-yl)-phenylmethanol is CCCN1C(c2ccccc2)C1(c1ccccc1)[C@@H](O)c1ccccc1.
What is the InChIKey of (S)-(2,3-diphenyl-1-propylaziridin-2-yl)-phenylmethanol?
The InChIKey is DNTXMJHUKMIQSE-IYQSZBERSA-N. The full InChI is InChI=1S/C24H25NO/c1-2-18-25-22(19-12-6-3-7-13-19)24(25,21-16-10-5-11-17-21)23(26)20-14-8-4-9-15-20/h3-17,22-23,26H,2,18H2,1H3/t22?,23-,24?,25?/m0/s1.
What are the key properties of (S)-(2,3-diphenyl-1-propylaziridin-2-yl)-phenylmethanol?
(S)-(2,3-diphenyl-1-propylaziridin-2-yl)-phenylmethanol has a molecular weight of 343.47 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(2,3-diphenyl-1-propylaziridin-2-yl)-phenylmethanol is sourced from PubChem (CID 134836713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).