N-[(1S)-2-methoxy-1-phenylethyl]-N-[(1R)-1-phenylpropyl]hydroxylamine

C18H23NO2 — CID 134926804

IUPACN-[(1S)-2-methoxy-1-phenylethyl]-N-[(1R)-1-phenylpropyl]hydroxylamine
SMILESCC[C@H](c1ccccc1)N(O)[C@H](COC)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-3-17(15-10-6-4-7-11-15)19(20)18(14-21-2)16-12-8-5-9-13-16/h4-13,17-18,20H,3,14H2,1-2H3/t17-,18-/m1/s1
InChIKeyMLAILDNTCBJJAD-QZTJIDSGSA-N
MW285.39 g/mol
LogP4.22
Rot. Bonds7

About N-[(1S)-2-methoxy-1-phenylethyl]-N-[(1R)-1-phenylpropyl]hydroxylamine

N-[(1S)-2-methoxy-1-phenylethyl]-N-[(1R)-1-phenylpropyl]hydroxylamine (PubChem CID 134926804) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(1S)-2-methoxy-1-phenylethyl]-N-[(1R)-1-phenylpropyl]hydroxylamine.

Molecular Properties

Compound NameN-[(1S)-2-methoxy-1-phenylethyl]-N-[(1R)-1-phenylpropyl]hydroxylamine
PubChem CID134926804
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[(1S)-2-methoxy-1-phenylethyl]-N-[(1R)-1-phenylpropyl]hydroxylamine
SMILESCC[C@H](c1ccccc1)N(O)[C@H](COC)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-3-17(15-10-6-4-7-11-15)19(20)18(14-21-2)16-12-8-5-9-13-16/h4-13,17-18,20H,3,14H2,1-2H3/t17-,18-/m1/s1
InChIKeyMLAILDNTCBJJAD-QZTJIDSGSA-N
XLogP4.22
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.22
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-[(1S)-1-phenyl-2-phenylmethoxyethyl]-N-[(1S)-1-phenylpropyl]hydroxylamine
CID 14642401
methyl N-ethyl-N-[(1R)-1-phenylpropyl]carbamate
CID 143937695
benzene;2-methoxy-1-phenylethanol
CID 174622919
N,N-dimethyl-1-phenylpropan-1-amine;ethane
CID 144553481
2-[[2-(diethylamino)-2-phenylethyl]amino]-3-methoxypropanoic acid
CID 103235339
N,N,N',N'-tetrakis(2-methoxyethyl)-1,2-diphenylethane-1,2-diamine
CID 613655
(2R)-2-(diethylamino)-2-phenylethanol
CID 13119692
1-methoxy-2-phenylpentan-3-amine
CID 103466357
N,N-diethyl-N'-(3-methoxypropyl)-1-phenylethane-1,2-diamine
CID 54935460
2-[(2-methoxy-1-phenylethyl)amino]-2-methylpropane-1,3-diol
CID 103464543
(1R)-2-methoxy-1-phenylethanamine
CID 11019045
1-methoxypropan-2-ylbenzene;uranium
CID 145056385

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methoxy-1-phenylethyl]-N-[(1R)-1-phenylpropyl]hydroxylamine?
The IUPAC name of N-[(1S)-2-methoxy-1-phenylethyl]-N-[(1R)-1-phenylpropyl]hydroxylamine (CID 134926804) is N-[(1S)-2-methoxy-1-phenylethyl]-N-[(1R)-1-phenylpropyl]hydroxylamine.
What is the SMILES notation for N-[(1S)-2-methoxy-1-phenylethyl]-N-[(1R)-1-phenylpropyl]hydroxylamine?
The canonical SMILES for N-[(1S)-2-methoxy-1-phenylethyl]-N-[(1R)-1-phenylpropyl]hydroxylamine is CC[C@H](c1ccccc1)N(O)[C@H](COC)c1ccccc1.
What is the InChIKey of N-[(1S)-2-methoxy-1-phenylethyl]-N-[(1R)-1-phenylpropyl]hydroxylamine?
The InChIKey is MLAILDNTCBJJAD-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-17(15-10-6-4-7-11-15)19(20)18(14-21-2)16-12-8-5-9-13-16/h4-13,17-18,20H,3,14H2,1-2H3/t17-,18-/m1/s1.
What are the key properties of N-[(1S)-2-methoxy-1-phenylethyl]-N-[(1R)-1-phenylpropyl]hydroxylamine?
N-[(1S)-2-methoxy-1-phenylethyl]-N-[(1R)-1-phenylpropyl]hydroxylamine has a molecular weight of 285.39 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-methoxy-1-phenylethyl]-N-[(1R)-1-phenylpropyl]hydroxylamine is sourced from PubChem (CID 134926804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).