2-(3-amino-4-morpholin-4-ylanilino)ethanol;sulfuric acid

C12H21N3O6S — CID 70195470

IUPAC2-(3-amino-4-morpholin-4-ylanilino)ethanol;sulfuric acid
SMILESNc1cc(NCCO)ccc1N1CCOCC1.O=S(=O)(O)O
InChIInChI=1S/C12H19N3O2.H2O4S/c13-11-9-10(14-3-6-16)1-2-12(11)15-4-7-17-8-5-15;1-5(2,3)4/h1-2,9,14,16H,3-8,13H2;(H2,1,2,3,4)
InChIKeyAQNQYPWXHDRLAY-UHFFFAOYSA-N
MW335.38 g/mol
LogP-0.14
Rot. Bonds4

About 2-(3-amino-4-morpholin-4-ylanilino)ethanol;sulfuric acid

2-(3-amino-4-morpholin-4-ylanilino)ethanol;sulfuric acid (PubChem CID 70195470) has the molecular formula C12H21N3O6S and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-(3-amino-4-morpholin-4-ylanilino)ethanol;sulfuric acid.

Molecular Properties

Compound Name2-(3-amino-4-morpholin-4-ylanilino)ethanol;sulfuric acid
PubChem CID70195470
Molecular FormulaC12H21N3O6S
Molecular Weight335.38 g/mol
Exact Mass335.12
IUPAC Name2-(3-amino-4-morpholin-4-ylanilino)ethanol;sulfuric acid
SMILESNc1cc(NCCO)ccc1N1CCOCC1.O=S(=O)(O)O
InChIInChI=1S/C12H19N3O2.H2O4S/c13-11-9-10(14-3-6-16)1-2-12(11)15-4-7-17-8-5-15;1-5(2,3)4/h1-2,9,14,16H,3-8,13H2;(H2,1,2,3,4)
InChIKeyAQNQYPWXHDRLAY-UHFFFAOYSA-N
XLogP-0.14
TPSA145.35 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 5-0.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-morpholin-4-ylphenyl)acetamide
CID 42560587
N-(3-amino-4-morpholin-4-ylphenyl)-2-methylpropanamide
CID 28688940
2-amino-4-(2-hydroxyethylamino)benzenesulfonamide
CID 79467584
5-(difluoromethylsulfonyl)-2-morpholin-4-ylaniline
CID 22752978
N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 28689034
2-amino-1-(3-amino-4-morpholin-4-ylphenyl)ethanone
CID 170860466
2-amino-4-(2-hydroxyethylamino)benzoic acid
CID 175322504
3-amino-4-(1,4-oxazepan-4-yl)benzenesulfonamide
CID 62988486
5-methyl-2-morpholin-4-ylaniline
CID 18952141
4-morpholin-4-ylbenzene-1,2-diamine;sulfuric acid
CID 70192799
N-ethyl-3-fluoro-4-morpholin-4-ylaniline
CID 123788462
N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 28688998

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-morpholin-4-ylanilino)ethanol;sulfuric acid?
The IUPAC name of 2-(3-amino-4-morpholin-4-ylanilino)ethanol;sulfuric acid (CID 70195470) is 2-(3-amino-4-morpholin-4-ylanilino)ethanol;sulfuric acid.
What is the SMILES notation for 2-(3-amino-4-morpholin-4-ylanilino)ethanol;sulfuric acid?
The canonical SMILES for 2-(3-amino-4-morpholin-4-ylanilino)ethanol;sulfuric acid is Nc1cc(NCCO)ccc1N1CCOCC1.O=S(=O)(O)O.
What is the InChIKey of 2-(3-amino-4-morpholin-4-ylanilino)ethanol;sulfuric acid?
The InChIKey is AQNQYPWXHDRLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2.H2O4S/c13-11-9-10(14-3-6-16)1-2-12(11)15-4-7-17-8-5-15;1-5(2,3)4/h1-2,9,14,16H,3-8,13H2;(H2,1,2,3,4).
What are the key properties of 2-(3-amino-4-morpholin-4-ylanilino)ethanol;sulfuric acid?
2-(3-amino-4-morpholin-4-ylanilino)ethanol;sulfuric acid has a molecular weight of 335.38 g/mol, XLogP of -0.14, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-morpholin-4-ylanilino)ethanol;sulfuric acid is sourced from PubChem (CID 70195470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).