(1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]-2-phenylethanamine

C24H25NO — CID 11046158

IUPAC(1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]-2-phenylethanamine
SMILESc1ccc(C[C@@H]([C@@H]2CO2)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C24H25NO/c1-4-10-20(11-5-1)16-23(24-19-26-24)25(17-21-12-6-2-7-13-21)18-22-14-8-3-9-15-22/h1-15,23-24H,16-19H2/t23-,24-/m0/s1
InChIKeyOJMTUDXGQPAVEH-ZEQRLZLVSA-N
MW343.47 g/mol
LogP4.70
Rot. Bonds8

About (1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]-2-phenylethanamine

(1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]-2-phenylethanamine (PubChem CID 11046158) has the molecular formula C24H25NO and a molecular weight of 343.47 g/mol. Its IUPAC name is (1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]-2-phenylethanamine.

Molecular Properties

Compound Name(1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]-2-phenylethanamine
PubChem CID11046158
Molecular FormulaC24H25NO
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC Name(1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]-2-phenylethanamine
SMILESc1ccc(C[C@@H]([C@@H]2CO2)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C24H25NO/c1-4-10-20(11-5-1)16-23(24-19-26-24)25(17-21-12-6-2-7-13-21)18-22-14-8-3-9-15-22/h1-15,23-24H,16-19H2/t23-,24-/m0/s1
InChIKeyOJMTUDXGQPAVEH-ZEQRLZLVSA-N
XLogP4.70
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Benzyl-2-(2-phenylethyl)morpholine
CID 20354789
4-[(4-Fluorophenyl)methyl]-2-(2-phenylethyl)morpholine
CID 72737750
(S)-(+)-2-(Dibenzylamino)-3-phenyl-1-propanol
CID 7019180
trans-(1S,2S)-N-methyl-N-(2-phenylethyl)-2-(3-phenylpropoxy)cyclohexan-1-amine
CID 71769267
trans-(1S,2S)-N-methyl-2-(3-phenylpropoxy)-N-(3-phenylpropyl)cyclohexan-1-amine
CID 71769269
4-[(2-Methylphenyl)methyl]-2-(2-phenylethyl)morpholine
CID 72737772
Benzyl-(2,2-dimethyl-tetrahydro-pyran-4-yl)-phenethyl-amine
CID 16681847
4-[(2,6-Difluorophenyl)methyl]-2-(2-phenylethyl)morpholine
CID 72737725
(betaR)-beta-[Bis(phenylmethyl)amino]benzenepropanol
CID 16217014
N,N-dibenzyl-3(S)-amino-1,2(S)-epoxy-4-phenylbutane
CID 9798180
(s)-N,N-dibenzylphenylglycinol
CID 10734282
(1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]ethanamine
CID 11173187

Frequently Asked Questions

What is the IUPAC name of (1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]-2-phenylethanamine?
The IUPAC name of (1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]-2-phenylethanamine (CID 11046158) is (1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]-2-phenylethanamine.
What is the SMILES notation for (1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]-2-phenylethanamine?
The canonical SMILES for (1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]-2-phenylethanamine is c1ccc(C[C@@H]([C@@H]2CO2)N(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of (1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]-2-phenylethanamine?
The InChIKey is OJMTUDXGQPAVEH-ZEQRLZLVSA-N. The full InChI is InChI=1S/C24H25NO/c1-4-10-20(11-5-1)16-23(24-19-26-24)25(17-21-12-6-2-7-13-21)18-22-14-8-3-9-15-22/h1-15,23-24H,16-19H2/t23-,24-/m0/s1.
What are the key properties of (1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]-2-phenylethanamine?
(1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]-2-phenylethanamine has a molecular weight of 343.47 g/mol, XLogP of 4.70, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]-2-phenylethanamine is sourced from PubChem (CID 11046158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).