2-[2-(5-chloro-2-methoxyphenyl)ethyl]guanidine

C10H14ClN3O — CID 95447663

IUPAC2-[2-(5-chloro-2-methoxyphenyl)ethyl]guanidine
SMILESCOc1ccc(Cl)cc1CCN=C(N)N
InChIInChI=1S/C10H14ClN3O/c1-15-9-3-2-8(11)6-7(9)4-5-14-10(12)13/h2-3,6H,4-5H2,1H3,(H4,12,13,14)
InChIKeyJHHFSYHTZFUNPD-UHFFFAOYSA-N
MW227.70 g/mol
LogP1.16
Rot. Bonds4

About 2-[2-(5-chloro-2-methoxyphenyl)ethyl]guanidine

2-[2-(5-chloro-2-methoxyphenyl)ethyl]guanidine (PubChem CID 95447663) has the molecular formula C10H14ClN3O and a molecular weight of 227.70 g/mol. Its IUPAC name is 2-[2-(5-chloro-2-methoxyphenyl)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(5-chloro-2-methoxyphenyl)ethyl]guanidine
PubChem CID95447663
Molecular FormulaC10H14ClN3O
Molecular Weight227.70 g/mol
Exact Mass227.08
IUPAC Name2-[2-(5-chloro-2-methoxyphenyl)ethyl]guanidine
SMILESCOc1ccc(Cl)cc1CCN=C(N)N
InChIInChI=1S/C10H14ClN3O/c1-15-9-3-2-8(11)6-7(9)4-5-14-10(12)13/h2-3,6H,4-5H2,1H3,(H4,12,13,14)
InChIKeyJHHFSYHTZFUNPD-UHFFFAOYSA-N
XLogP1.16
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.70
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-chloro-2-methoxyphenyl)methyl]guanidine
CID 82284451
2-[2-(5-chloro-2-ethoxyphenyl)ethyl]guanidine;hydroiodide
CID 109467659
2-[2-(4-chloro-2-methoxyphenyl)ethyl]-1-(diaminomethylidene)guanidine;hydrochloride
CID 162339868
4-(5-chloro-2-methoxyphenyl)butanethioamide
CID 83933152
4-(5-chloro-2-methoxyphenyl)butan-1-ol
CID 64513423
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
2-[2-(5-chloro-2-ethoxyphenyl)ethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 109467868
N-(5-chloro-2-methoxyphenyl)-3-(diaminomethylideneamino)propanamide;hydrobromide
CID 131958555
2-[2-(3-bromo-4-methoxyphenyl)ethyl]guanidine
CID 59851874
4-chloro-2-(fluoromethyl)-1-methoxybenzene
CID 142810663
2-[5-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]ethanamine
CID 107668910
2-(5-chloro-2-methoxyphenyl)ethylcarbamic acid
CID 115171089

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chloro-2-methoxyphenyl)ethyl]guanidine?
The IUPAC name of 2-[2-(5-chloro-2-methoxyphenyl)ethyl]guanidine (CID 95447663) is 2-[2-(5-chloro-2-methoxyphenyl)ethyl]guanidine.
What is the SMILES notation for 2-[2-(5-chloro-2-methoxyphenyl)ethyl]guanidine?
The canonical SMILES for 2-[2-(5-chloro-2-methoxyphenyl)ethyl]guanidine is COc1ccc(Cl)cc1CCN=C(N)N.
What is the InChIKey of 2-[2-(5-chloro-2-methoxyphenyl)ethyl]guanidine?
The InChIKey is JHHFSYHTZFUNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-15-9-3-2-8(11)6-7(9)4-5-14-10(12)13/h2-3,6H,4-5H2,1H3,(H4,12,13,14).
What are the key properties of 2-[2-(5-chloro-2-methoxyphenyl)ethyl]guanidine?
2-[2-(5-chloro-2-methoxyphenyl)ethyl]guanidine has a molecular weight of 227.70 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chloro-2-methoxyphenyl)ethyl]guanidine is sourced from PubChem (CID 95447663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).