N-[(1S)-1-phenyl-2-phenylmethoxyethyl]-N-[(1S)-1-phenylpropyl]hydroxylamine

C24H27NO2 — CID 14642401

IUPACN-[(1S)-1-phenyl-2-phenylmethoxyethyl]-N-[(1S)-1-phenylpropyl]hydroxylamine
SMILESCC[C@@H](c1ccccc1)N(O)[C@H](COCc1ccccc1)c1ccccc1
InChIInChI=1S/C24H27NO2/c1-2-23(21-14-8-4-9-15-21)25(26)24(22-16-10-5-11-17-22)19-27-18-20-12-6-3-7-13-20/h3-17,23-24,26H,2,18-19H2,1H3/t23-,24+/m0/s1
InChIKeyCGINSWMFQSGNKY-BJKOFHAPSA-N
MW361.49 g/mol
LogP5.79
Rot. Bonds9

About N-[(1S)-1-phenyl-2-phenylmethoxyethyl]-N-[(1S)-1-phenylpropyl]hydroxylamine

N-[(1S)-1-phenyl-2-phenylmethoxyethyl]-N-[(1S)-1-phenylpropyl]hydroxylamine (PubChem CID 14642401) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[(1S)-1-phenyl-2-phenylmethoxyethyl]-N-[(1S)-1-phenylpropyl]hydroxylamine.

Molecular Properties

Compound NameN-[(1S)-1-phenyl-2-phenylmethoxyethyl]-N-[(1S)-1-phenylpropyl]hydroxylamine
PubChem CID14642401
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC NameN-[(1S)-1-phenyl-2-phenylmethoxyethyl]-N-[(1S)-1-phenylpropyl]hydroxylamine
SMILESCC[C@@H](c1ccccc1)N(O)[C@H](COCc1ccccc1)c1ccccc1
InChIInChI=1S/C24H27NO2/c1-2-23(21-14-8-4-9-15-21)25(26)24(22-16-10-5-11-17-22)19-27-18-20-12-6-3-7-13-20/h3-17,23-24,26H,2,18-19H2,1H3/t23-,24+/m0/s1
InChIKeyCGINSWMFQSGNKY-BJKOFHAPSA-N
XLogP5.79
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-phenylethyl]-N-[(1S)-1-phenyl-2-phenylmethoxyethyl]hydroxylamine
CID 134926219
N-[(1S)-2-methoxy-1-phenylethyl]-N-[(1R)-1-phenylpropyl]hydroxylamine
CID 134926804
1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol
CID 11688242
N-[(1R)-1-phenyl-2-phenylmethoxyethyl]-N-prop-2-enylprop-2-en-1-amine
CID 11185890
(2R)-N,N-dimethyl-1-phenylmethoxypropan-2-amine
CID 165125005
2-fluorobutoxymethylbenzene
CID 121368179
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(2-ethyl-3-methylbutoxy)methylbenzene
CID 90754542
2-phenylmethoxyethane-1,1-diol
CID 59866645
ethyl (2S,3S)-3-hydroxy-2-phenyl-4-phenylmethoxybutanoate
CID 100958276
ethyl (2R,3R)-3-hydroxy-2-phenyl-4-phenylmethoxybutanoate
CID 100958275
N-ethyl-2-phenyl-3-phenylmethoxypropan-1-amine
CID 102940555

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenyl-2-phenylmethoxyethyl]-N-[(1S)-1-phenylpropyl]hydroxylamine?
The IUPAC name of N-[(1S)-1-phenyl-2-phenylmethoxyethyl]-N-[(1S)-1-phenylpropyl]hydroxylamine (CID 14642401) is N-[(1S)-1-phenyl-2-phenylmethoxyethyl]-N-[(1S)-1-phenylpropyl]hydroxylamine.
What is the SMILES notation for N-[(1S)-1-phenyl-2-phenylmethoxyethyl]-N-[(1S)-1-phenylpropyl]hydroxylamine?
The canonical SMILES for N-[(1S)-1-phenyl-2-phenylmethoxyethyl]-N-[(1S)-1-phenylpropyl]hydroxylamine is CC[C@@H](c1ccccc1)N(O)[C@H](COCc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenyl-2-phenylmethoxyethyl]-N-[(1S)-1-phenylpropyl]hydroxylamine?
The InChIKey is CGINSWMFQSGNKY-BJKOFHAPSA-N. The full InChI is InChI=1S/C24H27NO2/c1-2-23(21-14-8-4-9-15-21)25(26)24(22-16-10-5-11-17-22)19-27-18-20-12-6-3-7-13-20/h3-17,23-24,26H,2,18-19H2,1H3/t23-,24+/m0/s1.
What are the key properties of N-[(1S)-1-phenyl-2-phenylmethoxyethyl]-N-[(1S)-1-phenylpropyl]hydroxylamine?
N-[(1S)-1-phenyl-2-phenylmethoxyethyl]-N-[(1S)-1-phenylpropyl]hydroxylamine has a molecular weight of 361.49 g/mol, XLogP of 5.79, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenyl-2-phenylmethoxyethyl]-N-[(1S)-1-phenylpropyl]hydroxylamine is sourced from PubChem (CID 14642401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).