1-[[(1R)-2-azido-1-phenylethoxy]methyl]-4-(2-phenylethyl)benzene

C23H23N3O — CID 122533474

IUPAC1-[[(1R)-2-azido-1-phenylethoxy]methyl]-4-(2-phenylethyl)benzene
SMILES[N-]=[N+]=NC[C@H](OCc1ccc(CCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H23N3O/c24-26-25-17-23(22-9-5-2-6-10-22)27-18-21-15-13-20(14-16-21)12-11-19-7-3-1-4-8-19/h1-10,13-16,23H,11-12,17-18H2/t23-/m0/s1
InChIKeyYGEDMBNIACLZAM-QHCPKHFHSA-N
MW357.46 g/mol
LogP6.04
Rot. Bonds9

About 1-[[(1R)-2-azido-1-phenylethoxy]methyl]-4-(2-phenylethyl)benzene

1-[[(1R)-2-azido-1-phenylethoxy]methyl]-4-(2-phenylethyl)benzene (PubChem CID 122533474) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-[[(1R)-2-azido-1-phenylethoxy]methyl]-4-(2-phenylethyl)benzene.

Molecular Properties

Compound Name1-[[(1R)-2-azido-1-phenylethoxy]methyl]-4-(2-phenylethyl)benzene
PubChem CID122533474
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name1-[[(1R)-2-azido-1-phenylethoxy]methyl]-4-(2-phenylethyl)benzene
SMILES[N-]=[N+]=NC[C@H](OCc1ccc(CCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H23N3O/c24-26-25-17-23(22-9-5-2-6-10-22)27-18-21-15-13-20(14-16-21)12-11-19-7-3-1-4-8-19/h1-10,13-16,23H,11-12,17-18H2/t23-/m0/s1
InChIKeyYGEDMBNIACLZAM-QHCPKHFHSA-N
XLogP6.04
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-[[2-azido-1-(4-chlorophenyl)ethoxy]methyl]-4-(2-phenylethyl)benzene
CID 122533467
1-[[(1R)-2-azido-1-phenylethoxy]methyl]-4-(2-cyclopentylethyl)benzene
CID 122533485
1-[(2-azido-1-phenylethoxy)methyl]-4-tert-butylbenzene
CID 122470315
1-[[(1R)-2-azido-1-phenylethoxy]methyl]-4-(2-cyclohexylethyl)benzene
CID 122533484
1,6-diazido-3,4-bis(phenylmethoxy)hexane-2,5-diol
CID 59824366
3-azido-2-phenylmethoxypropanal
CID 130004617
(2R,3R)-4-azido-3-methyl-2-phenylmethoxybutanoic acid
CID 157294780
(3R)-5-azido-4,4-difluoro-3-phenylmethoxypent-1-en-2-ol
CID 140585760
3,4-diazidobutylbenzene
CID 151154204
1-[(3-azido-1-phenylpropoxy)methyl]-2-methoxybenzene
CID 57033234
[(1S)-2-azido-1-phenylethoxy]-tert-butyl-dimethylsilane
CID 22867082
(2R,3S,4R)-5-azido-2,3,4-tris(phenylmethoxy)pentanal
CID 18654073

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-2-azido-1-phenylethoxy]methyl]-4-(2-phenylethyl)benzene?
The IUPAC name of 1-[[(1R)-2-azido-1-phenylethoxy]methyl]-4-(2-phenylethyl)benzene (CID 122533474) is 1-[[(1R)-2-azido-1-phenylethoxy]methyl]-4-(2-phenylethyl)benzene.
What is the SMILES notation for 1-[[(1R)-2-azido-1-phenylethoxy]methyl]-4-(2-phenylethyl)benzene?
The canonical SMILES for 1-[[(1R)-2-azido-1-phenylethoxy]methyl]-4-(2-phenylethyl)benzene is [N-]=[N+]=NC[C@H](OCc1ccc(CCc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 1-[[(1R)-2-azido-1-phenylethoxy]methyl]-4-(2-phenylethyl)benzene?
The InChIKey is YGEDMBNIACLZAM-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H23N3O/c24-26-25-17-23(22-9-5-2-6-10-22)27-18-21-15-13-20(14-16-21)12-11-19-7-3-1-4-8-19/h1-10,13-16,23H,11-12,17-18H2/t23-/m0/s1.
What are the key properties of 1-[[(1R)-2-azido-1-phenylethoxy]methyl]-4-(2-phenylethyl)benzene?
1-[[(1R)-2-azido-1-phenylethoxy]methyl]-4-(2-phenylethyl)benzene has a molecular weight of 357.46 g/mol, XLogP of 6.04, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-2-azido-1-phenylethoxy]methyl]-4-(2-phenylethyl)benzene is sourced from PubChem (CID 122533474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).