4-N-(2-methoxyethyl)benzene-1,4-diamine;sulfuric acid

C9H16N2O5S — CID 71375043

IUPAC4-N-(2-methoxyethyl)benzene-1,4-diamine;sulfuric acid
SMILESCOCCNc1ccc(N)cc1.O=S(=O)(O)O
InChIInChI=1S/C9H14N2O.H2O4S/c1-12-7-6-11-9-4-2-8(10)3-5-9;1-5(2,3)4/h2-5,11H,6-7,10H2,1H3;(H2,1,2,3,4)
InChIKeyICTNREHFNBMLKP-UHFFFAOYSA-N
MW264.30 g/mol
LogP0.67
Rot. Bonds4

About 4-N-(2-methoxyethyl)benzene-1,4-diamine;sulfuric acid

4-N-(2-methoxyethyl)benzene-1,4-diamine;sulfuric acid (PubChem CID 71375043) has the molecular formula C9H16N2O5S and a molecular weight of 264.30 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)benzene-1,4-diamine;sulfuric acid.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)benzene-1,4-diamine;sulfuric acid
PubChem CID71375043
Molecular FormulaC9H16N2O5S
Molecular Weight264.30 g/mol
Exact Mass264.08
IUPAC Name4-N-(2-methoxyethyl)benzene-1,4-diamine;sulfuric acid
SMILESCOCCNc1ccc(N)cc1.O=S(=O)(O)O
InChIInChI=1S/C9H14N2O.H2O4S/c1-12-7-6-11-9-4-2-8(10)3-5-9;1-5(2,3)4/h2-5,11H,6-7,10H2,1H3;(H2,1,2,3,4)
InChIKeyICTNREHFNBMLKP-UHFFFAOYSA-N
XLogP0.67
TPSA121.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 50.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', '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

4-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride
CID 68602874
4-N-(2-methylsulfonylethyl)benzene-1,4-diamine
CID 23104459
4-(2-methoxyethylamino)benzenesulfonohydrazide
CID 174874042
2-methoxyethyl 4-(2-methoxyethylamino)benzoate
CID 66962973
2-amino-4-(2-methoxyethylamino)benzenesulfonamide
CID 79467385
4-N-(7-methylsulfonylheptyl)benzene-1,4-diamine
CID 139472179
(4-aminoanilino)methanesulfonic acid
CID 12631177
1-bromo-2-methoxyethane;tert-butyl N-[2-(4-aminophenyl)ethyl]carbamate;tert-butyl N-[2-[4-(2-methoxyethylamino)phenyl]ethyl]carbamate
CID 159155996
4-N-ethoxybenzene-1,4-diamine;sulfuric acid
CID 172834421
2-[2-[2-[2-(4-aminoanilino)ethoxy]ethoxy]ethoxy]ethanol
CID 150016700
1-N-(2-methoxyethyl)-4-methylbenzene-1,3-diamine
CID 62911609
4-N-(3-amino-2-methoxypropyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine
CID 142398734

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)benzene-1,4-diamine;sulfuric acid?
The IUPAC name of 4-N-(2-methoxyethyl)benzene-1,4-diamine;sulfuric acid (CID 71375043) is 4-N-(2-methoxyethyl)benzene-1,4-diamine;sulfuric acid.
What is the SMILES notation for 4-N-(2-methoxyethyl)benzene-1,4-diamine;sulfuric acid?
The canonical SMILES for 4-N-(2-methoxyethyl)benzene-1,4-diamine;sulfuric acid is COCCNc1ccc(N)cc1.O=S(=O)(O)O.
What is the InChIKey of 4-N-(2-methoxyethyl)benzene-1,4-diamine;sulfuric acid?
The InChIKey is ICTNREHFNBMLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O.H2O4S/c1-12-7-6-11-9-4-2-8(10)3-5-9;1-5(2,3)4/h2-5,11H,6-7,10H2,1H3;(H2,1,2,3,4).
What are the key properties of 4-N-(2-methoxyethyl)benzene-1,4-diamine;sulfuric acid?
4-N-(2-methoxyethyl)benzene-1,4-diamine;sulfuric acid has a molecular weight of 264.30 g/mol, XLogP of 0.67, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)benzene-1,4-diamine;sulfuric acid is sourced from PubChem (CID 71375043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).