2-[2-(2-chloro-6-methylphenoxy)ethyl]guanidine;sulfuric acid

C10H16ClN3O5S — CID 161092850

IUPAC2-[2-(2-chloro-6-methylphenoxy)ethyl]guanidine;sulfuric acid
SMILESCc1cccc(Cl)c1OCCN=C(N)N.O=S(=O)(O)O
InChIInChI=1S/C10H14ClN3O.H2O4S/c1-7-3-2-4-8(11)9(7)15-6-5-14-10(12)13;1-5(2,3)4/h2-4H,5-6H2,1H3,(H4,12,13,14);(H2,1,2,3,4)
InChIKeyUHKHAQCLGZOYKX-UHFFFAOYSA-N
MW325.77 g/mol
LogP0.65
Rot. Bonds4

About 2-[2-(2-chloro-6-methylphenoxy)ethyl]guanidine;sulfuric acid

2-[2-(2-chloro-6-methylphenoxy)ethyl]guanidine;sulfuric acid (PubChem CID 161092850) has the molecular formula C10H16ClN3O5S and a molecular weight of 325.77 g/mol. Its IUPAC name is 2-[2-(2-chloro-6-methylphenoxy)ethyl]guanidine;sulfuric acid.

Molecular Properties

Compound Name2-[2-(2-chloro-6-methylphenoxy)ethyl]guanidine;sulfuric acid
PubChem CID161092850
Molecular FormulaC10H16ClN3O5S
Molecular Weight325.77 g/mol
Exact Mass325.05
IUPAC Name2-[2-(2-chloro-6-methylphenoxy)ethyl]guanidine;sulfuric acid
SMILESCc1cccc(Cl)c1OCCN=C(N)N.O=S(=O)(O)O
InChIInChI=1S/C10H14ClN3O.H2O4S/c1-7-3-2-4-8(11)9(7)15-6-5-14-10(12)13;1-5(2,3)4/h2-4H,5-6H2,1H3,(H4,12,13,14);(H2,1,2,3,4)
InChIKeyUHKHAQCLGZOYKX-UHFFFAOYSA-N
XLogP0.65
TPSA148.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-chloro-6-methylphenoxy)ethyl]guanidine
CID 154250335
2-[2-(2,6-dichlorophenoxy)ethylamino]guanidine;sulfuric acid
CID 159030999
1-chloro-2-(2-methoxyethoxy)-3-methylbenzene
CID 59177618
2-[2-(3-chloro-4-methylphenoxy)ethyl]guanidine
CID 154150076
2-(2-chloro-6-methylphenoxy)acetyl chloride
CID 90385043
(2R)-2-(2-aminoethyl)-4-(2-chloro-6-methylphenoxy)butan-1-ol
CID 174835527
1-cyclopropyl-2-[2-(2,6-dimethylphenoxy)ethyl]guanidine
CID 110917136
tert-butyl N-[2-(2-chloro-6-methylphenoxy)ethyl]carbamate
CID 146282130
3-(2-chloro-6-methylphenoxy)-N-prop-2-enylpropan-1-amine
CID 4154911
3-[(2-chloro-6-methylphenoxy)methyl]azetidine-1-carboxamide
CID 67854584
2-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]guanidine
CID 158736954
1-chloro-3-methyl-2-phenylmethoxybenzene
CID 71366901

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-6-methylphenoxy)ethyl]guanidine;sulfuric acid?
The IUPAC name of 2-[2-(2-chloro-6-methylphenoxy)ethyl]guanidine;sulfuric acid (CID 161092850) is 2-[2-(2-chloro-6-methylphenoxy)ethyl]guanidine;sulfuric acid.
What is the SMILES notation for 2-[2-(2-chloro-6-methylphenoxy)ethyl]guanidine;sulfuric acid?
The canonical SMILES for 2-[2-(2-chloro-6-methylphenoxy)ethyl]guanidine;sulfuric acid is Cc1cccc(Cl)c1OCCN=C(N)N.O=S(=O)(O)O.
What is the InChIKey of 2-[2-(2-chloro-6-methylphenoxy)ethyl]guanidine;sulfuric acid?
The InChIKey is UHKHAQCLGZOYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O.H2O4S/c1-7-3-2-4-8(11)9(7)15-6-5-14-10(12)13;1-5(2,3)4/h2-4H,5-6H2,1H3,(H4,12,13,14);(H2,1,2,3,4).
What are the key properties of 2-[2-(2-chloro-6-methylphenoxy)ethyl]guanidine;sulfuric acid?
2-[2-(2-chloro-6-methylphenoxy)ethyl]guanidine;sulfuric acid has a molecular weight of 325.77 g/mol, XLogP of 0.65, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-6-methylphenoxy)ethyl]guanidine;sulfuric acid is sourced from PubChem (CID 161092850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).