2-[2-(4-chloro-2-methylphenoxy)ethylamino]guanidine

C10H15ClN4O — CID 95455698

IUPAC2-[2-(4-chloro-2-methylphenoxy)ethylamino]guanidine
SMILESCc1cc(Cl)ccc1OCCNN=C(N)N
InChIInChI=1S/C10H15ClN4O/c1-7-6-8(11)2-3-9(7)16-5-4-14-15-10(12)13/h2-3,6,14H,4-5H2,1H3,(H4,12,13,15)
InChIKeyCHNRHEFVJXZWON-UHFFFAOYSA-N
MW242.71 g/mol
LogP0.81
Rot. Bonds5

About 2-[2-(4-chloro-2-methylphenoxy)ethylamino]guanidine

2-[2-(4-chloro-2-methylphenoxy)ethylamino]guanidine (PubChem CID 95455698) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-[2-(4-chloro-2-methylphenoxy)ethylamino]guanidine.

Molecular Properties

Compound Name2-[2-(4-chloro-2-methylphenoxy)ethylamino]guanidine
PubChem CID95455698
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name2-[2-(4-chloro-2-methylphenoxy)ethylamino]guanidine
SMILESCc1cc(Cl)ccc1OCCNN=C(N)N
InChIInChI=1S/C10H15ClN4O/c1-7-6-8(11)2-3-9(7)16-5-4-14-15-10(12)13/h2-3,6,14H,4-5H2,1H3,(H4,12,13,15)
InChIKeyCHNRHEFVJXZWON-UHFFFAOYSA-N
XLogP0.81
TPSA85.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,4,5-trimethylphenoxy)ethylamino]guanidine
CID 95452675
N-[2-(4-chloro-2-methylphenoxy)ethyl]propan-1-amine
CID 29015804
5-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylaniline
CID 54798405
4-(4-chloro-2-methylphenoxy)-N'-hydroxybutanimidamide
CID 24697005
2-[2-(2,3-dichlorophenoxy)ethylamino]guanidine
CID 95469367
4-chloro-1-(4-chlorobutoxy)-2-methylbenzene
CID 12928638
3-(4-chloro-2-methylphenoxy)propanehydrazide
CID 63574293
2-[3-(4-chloro-2-methylphenoxy)propyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110926694
4-chloro-1-(2-isothiocyanatoethoxy)-2-methylbenzene
CID 82081274
1-amino-N-[3-(4-chloro-2-methylphenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119748063
3-[3-(4-chloro-2-methylphenoxy)propoxy]propan-1-amine
CID 82353373
1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-[2-(3-chlorophenyl)ethyl]urea
CID 112976538

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloro-2-methylphenoxy)ethylamino]guanidine?
The IUPAC name of 2-[2-(4-chloro-2-methylphenoxy)ethylamino]guanidine (CID 95455698) is 2-[2-(4-chloro-2-methylphenoxy)ethylamino]guanidine.
What is the SMILES notation for 2-[2-(4-chloro-2-methylphenoxy)ethylamino]guanidine?
The canonical SMILES for 2-[2-(4-chloro-2-methylphenoxy)ethylamino]guanidine is Cc1cc(Cl)ccc1OCCNN=C(N)N.
What is the InChIKey of 2-[2-(4-chloro-2-methylphenoxy)ethylamino]guanidine?
The InChIKey is CHNRHEFVJXZWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-7-6-8(11)2-3-9(7)16-5-4-14-15-10(12)13/h2-3,6,14H,4-5H2,1H3,(H4,12,13,15).
What are the key properties of 2-[2-(4-chloro-2-methylphenoxy)ethylamino]guanidine?
2-[2-(4-chloro-2-methylphenoxy)ethylamino]guanidine has a molecular weight of 242.71 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloro-2-methylphenoxy)ethylamino]guanidine is sourced from PubChem (CID 95455698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).