2,5-dibutoxy-4-morpholin-4-ylaniline;sulfuric acid

C18H32N2O7S — CID 3025701

IUPAC2,5-dibutoxy-4-morpholin-4-ylaniline;sulfuric acid
SMILESCCCCOc1cc(N2CCOCC2)c(OCCCC)cc1N.O=S(=O)(O)O
InChIInChI=1S/C18H30N2O3.H2O4S/c1-3-5-9-22-17-14-16(20-7-11-21-12-8-20)18(13-15(17)19)23-10-6-4-2;1-5(2,3)4/h13-14H,3-12,19H2,1-2H3;(H2,1,2,3,4)
InChIKeyONLYZWBOMYPZPY-UHFFFAOYSA-N
MW420.53 g/mol
LogP2.81
Rot. Bonds9

About 2,5-dibutoxy-4-morpholin-4-ylaniline;sulfuric acid

2,5-dibutoxy-4-morpholin-4-ylaniline;sulfuric acid (PubChem CID 3025701) has the molecular formula C18H32N2O7S and a molecular weight of 420.53 g/mol. Its IUPAC name is 2,5-dibutoxy-4-morpholin-4-ylaniline;sulfuric acid.

Molecular Properties

Compound Name2,5-dibutoxy-4-morpholin-4-ylaniline;sulfuric acid
PubChem CID3025701
Molecular FormulaC18H32N2O7S
Molecular Weight420.53 g/mol
Exact Mass420.19
IUPAC Name2,5-dibutoxy-4-morpholin-4-ylaniline;sulfuric acid
SMILESCCCCOc1cc(N2CCOCC2)c(OCCCC)cc1N.O=S(=O)(O)O
InChIInChI=1S/C18H30N2O3.H2O4S/c1-3-5-9-22-17-14-16(20-7-11-21-12-8-20)18(13-15(17)19)23-10-6-4-2;1-5(2,3)4/h13-14H,3-12,19H2,1-2H3;(H2,1,2,3,4)
InChIKeyONLYZWBOMYPZPY-UHFFFAOYSA-N
XLogP2.81
TPSA131.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibutoxy-4-morpholin-4-ylaniline sulfate
CID 6366686
2-butoxy-4-morpholin-4-yl-5-propoxyaniline;methyl (2Z)-2-amino-2-(1-methyl-2-pyridinylidene)acetate
CID 143569080
2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium perchlorate
CID 71382500
dodecakis(2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium);hexakis(fluoro(dioxido)borane)
CID 157391269
2,5-di(butan-2-yloxy)-4-morpholin-4-ylaniline
CID 154107073
2-butoxy-5-methyl-4-morpholin-4-ylbenzonitrile
CID 59960010
2-butoxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 3508709
2-butoxy-5-morpholin-4-ylbenzoic acid
CID 70668670
4-(2-butoxy-4,5-dimethylphenyl)sulfonylmorpholine
CID 27261564
3-butoxy-4-pyrrolidin-1-ylaniline
CID 165357451
2,5-dicyclopentyloxy-4-morpholin-4-ylaniline
CID 154092983
methyl 2-[(2,5-dibutoxy-4-morpholin-4-ylphenyl)diazenyl]-2-(1-methyl-2-pyridinylidene)acetate
CID 76699827

Frequently Asked Questions

What is the IUPAC name of 2,5-dibutoxy-4-morpholin-4-ylaniline;sulfuric acid?
The IUPAC name of 2,5-dibutoxy-4-morpholin-4-ylaniline;sulfuric acid (CID 3025701) is 2,5-dibutoxy-4-morpholin-4-ylaniline;sulfuric acid.
What is the SMILES notation for 2,5-dibutoxy-4-morpholin-4-ylaniline;sulfuric acid?
The canonical SMILES for 2,5-dibutoxy-4-morpholin-4-ylaniline;sulfuric acid is CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1N.O=S(=O)(O)O.
What is the InChIKey of 2,5-dibutoxy-4-morpholin-4-ylaniline;sulfuric acid?
The InChIKey is ONLYZWBOMYPZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3.H2O4S/c1-3-5-9-22-17-14-16(20-7-11-21-12-8-20)18(13-15(17)19)23-10-6-4-2;1-5(2,3)4/h13-14H,3-12,19H2,1-2H3;(H2,1,2,3,4).
What are the key properties of 2,5-dibutoxy-4-morpholin-4-ylaniline;sulfuric acid?
2,5-dibutoxy-4-morpholin-4-ylaniline;sulfuric acid has a molecular weight of 420.53 g/mol, XLogP of 2.81, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibutoxy-4-morpholin-4-ylaniline;sulfuric acid is sourced from PubChem (CID 3025701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).