2-[2-(2-chloro-6-methylphenoxy)ethyl]guanidine

C10H14ClN3O — CID 154250335

IUPAC2-[2-(2-chloro-6-methylphenoxy)ethyl]guanidine
SMILESCc1cccc(Cl)c1OCCN=C(N)N
InChIInChI=1S/C10H14ClN3O/c1-7-3-2-4-8(11)9(7)15-6-5-14-10(12)13/h2-4H,5-6H2,1H3,(H4,12,13,14)
InChIKeyXVLHGQFYICWUPE-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.30
Rot. Bonds4

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

2-[2-(2-chloro-6-methylphenoxy)ethyl]guanidine (PubChem CID 154250335) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-[2-(2-chloro-6-methylphenoxy)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(2-chloro-6-methylphenoxy)ethyl]guanidine
PubChem CID154250335
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name2-[2-(2-chloro-6-methylphenoxy)ethyl]guanidine
SMILESCc1cccc(Cl)c1OCCN=C(N)N
InChIInChI=1S/C10H14ClN3O/c1-7-3-2-4-8(11)9(7)15-6-5-14-10(12)13/h2-4H,5-6H2,1H3,(H4,12,13,14)
InChIKeyXVLHGQFYICWUPE-UHFFFAOYSA-N
XLogP1.30
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

2-[2-(2-chloro-6-methylphenoxy)ethyl]guanidine;sulfuric acid
CID 161092850
1-chloro-2-(2-methoxyethoxy)-3-methylbenzene
CID 59177618
2-[2-(3-chloro-4-methylphenoxy)ethyl]guanidine
CID 154150076
(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
2-(2-chloro-6-methylphenoxy)acetyl chloride
CID 90385043
2-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]guanidine
CID 158736954
1-chloro-3-methyl-2-phenylmethoxybenzene
CID 71366901
tert-butyl N-[2-(2-chloro-6-methylphenoxy)ethyl]carbamate
CID 146282130
2-[2-(2,6-dichlorophenyl)ethyl]guanidine;hydroiodide
CID 51131579
N-[2-(2-chloro-6-methylphenoxy)ethyl]cyclopentanamine
CID 39760880
3-(2-chloro-6-methylphenoxy)-N-prop-2-enylpropan-1-amine
CID 4154911

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-6-methylphenoxy)ethyl]guanidine?
The IUPAC name of 2-[2-(2-chloro-6-methylphenoxy)ethyl]guanidine (CID 154250335) is 2-[2-(2-chloro-6-methylphenoxy)ethyl]guanidine.
What is the SMILES notation for 2-[2-(2-chloro-6-methylphenoxy)ethyl]guanidine?
The canonical SMILES for 2-[2-(2-chloro-6-methylphenoxy)ethyl]guanidine is Cc1cccc(Cl)c1OCCN=C(N)N.
What is the InChIKey of 2-[2-(2-chloro-6-methylphenoxy)ethyl]guanidine?
The InChIKey is XVLHGQFYICWUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-7-3-2-4-8(11)9(7)15-6-5-14-10(12)13/h2-4H,5-6H2,1H3,(H4,12,13,14).
What are the key properties of 2-[2-(2-chloro-6-methylphenoxy)ethyl]guanidine?
2-[2-(2-chloro-6-methylphenoxy)ethyl]guanidine has a molecular weight of 227.69 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-6-methylphenoxy)ethyl]guanidine is sourced from PubChem (CID 154250335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).