O-[5-[(2R)-2-aminopropyl]-2-methoxyphenyl]sulfanyloxyhydroxylamine;1-ethoxy-2-methylbenzene

C19H28N2O4S — CID 159923774

IUPACO-[5-[(2R)-2-aminopropyl]-2-methoxyphenyl]sulfanyloxyhydroxylamine;1-ethoxy-2-methylbenzene
SMILESCCOc1ccccc1C.COc1ccc(C[C@@H](C)N)cc1SOON
InChIInChI=1S/C10H16N2O3S.C9H12O/c1-7(11)5-8-3-4-9(13-2)10(6-8)16-15-14-12;1-3-10-9-7-5-4-6-8(9)2/h3-4,6-7H,5,11-12H2,1-2H3;4-7H,3H2,1-2H3/t7-;/m1./s1
InChIKeyNYTBVXMSMLDCPS-OGFXRTJISA-N
MW380.51 g/mol
LogP3.81
Rot. Bonds8

About O-[5-[(2R)-2-aminopropyl]-2-methoxyphenyl]sulfanyloxyhydroxylamine;1-ethoxy-2-methylbenzene

O-[5-[(2R)-2-aminopropyl]-2-methoxyphenyl]sulfanyloxyhydroxylamine;1-ethoxy-2-methylbenzene (PubChem CID 159923774) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is O-[5-[(2R)-2-aminopropyl]-2-methoxyphenyl]sulfanyloxyhydroxylamine;1-ethoxy-2-methylbenzene.

Molecular Properties

Compound NameO-[5-[(2R)-2-aminopropyl]-2-methoxyphenyl]sulfanyloxyhydroxylamine;1-ethoxy-2-methylbenzene
PubChem CID159923774
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC NameO-[5-[(2R)-2-aminopropyl]-2-methoxyphenyl]sulfanyloxyhydroxylamine;1-ethoxy-2-methylbenzene
SMILESCCOc1ccccc1C.COc1ccc(C[C@@H](C)N)cc1SOON
InChIInChI=1S/C10H16N2O3S.C9H12O/c1-7(11)5-8-3-4-9(13-2)10(6-8)16-15-14-12;1-3-10-9-7-5-4-6-8(9)2/h3-4,6-7H,5,11-12H2,1-2H3;4-7H,3H2,1-2H3/t7-;/m1./s1
InChIKeyNYTBVXMSMLDCPS-OGFXRTJISA-N
XLogP3.81
TPSA88.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-methoxyphenyl)sulfanyl-3-methylphenyl]propan-2-amine
CID 63819707
O-[5-[1-chloro-2-[2-(2-methylphenoxy)ethylamino]propyl]-2-methoxyphenyl]sulfanyloxyhydroxylamine
CID 20747907
1-[3-chloro-4-(2-ethoxyphenoxy)phenyl]propan-2-amine
CID 81159950
1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]propan-2-amine
CID 63803801
1-[4-(2-methylphenoxy)phenyl]propan-2-amine
CID 63803790
(2,5-dimethoxyphenyl)-(2-ethoxyphenyl)methanamine
CID 43197204
1-[3-(2-ethylphenoxy)-4-methylphenyl]propan-2-amine
CID 105411150
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 170891318
1-(3-ethoxy-4-pentoxyphenyl)propan-2-amine
CID 54929069
1-[3-ethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine
CID 62105521
1-(4-methoxy-3-pentoxyphenyl)propan-2-amine
CID 54929182
1-(2-ethoxy-5-fluorophenyl)propan-2-amine
CID 55254144

Frequently Asked Questions

What is the IUPAC name of O-[5-[(2R)-2-aminopropyl]-2-methoxyphenyl]sulfanyloxyhydroxylamine;1-ethoxy-2-methylbenzene?
The IUPAC name of O-[5-[(2R)-2-aminopropyl]-2-methoxyphenyl]sulfanyloxyhydroxylamine;1-ethoxy-2-methylbenzene (CID 159923774) is O-[5-[(2R)-2-aminopropyl]-2-methoxyphenyl]sulfanyloxyhydroxylamine;1-ethoxy-2-methylbenzene.
What is the SMILES notation for O-[5-[(2R)-2-aminopropyl]-2-methoxyphenyl]sulfanyloxyhydroxylamine;1-ethoxy-2-methylbenzene?
The canonical SMILES for O-[5-[(2R)-2-aminopropyl]-2-methoxyphenyl]sulfanyloxyhydroxylamine;1-ethoxy-2-methylbenzene is CCOc1ccccc1C.COc1ccc(C[C@@H](C)N)cc1SOON.
What is the InChIKey of O-[5-[(2R)-2-aminopropyl]-2-methoxyphenyl]sulfanyloxyhydroxylamine;1-ethoxy-2-methylbenzene?
The InChIKey is NYTBVXMSMLDCPS-OGFXRTJISA-N. The full InChI is InChI=1S/C10H16N2O3S.C9H12O/c1-7(11)5-8-3-4-9(13-2)10(6-8)16-15-14-12;1-3-10-9-7-5-4-6-8(9)2/h3-4,6-7H,5,11-12H2,1-2H3;4-7H,3H2,1-2H3/t7-;/m1./s1.
What are the key properties of O-[5-[(2R)-2-aminopropyl]-2-methoxyphenyl]sulfanyloxyhydroxylamine;1-ethoxy-2-methylbenzene?
O-[5-[(2R)-2-aminopropyl]-2-methoxyphenyl]sulfanyloxyhydroxylamine;1-ethoxy-2-methylbenzene has a molecular weight of 380.51 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for O-[5-[(2R)-2-aminopropyl]-2-methoxyphenyl]sulfanyloxyhydroxylamine;1-ethoxy-2-methylbenzene is sourced from PubChem (CID 159923774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).