2-[2-(3-hydroxy-4-methylphenyl)ethyl]guanidine

C10H15N3O — CID 118351548

IUPAC2-[2-(3-hydroxy-4-methylphenyl)ethyl]guanidine
SMILESCc1ccc(CCN=C(N)N)cc1O
InChIInChI=1S/C10H15N3O/c1-7-2-3-8(6-9(7)14)4-5-13-10(11)12/h2-3,6,14H,4-5H2,1H3,(H4,11,12,13)
InChIKeyHAVZRIFVNXVDTF-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.52
Rot. Bonds3

About 2-[2-(3-hydroxy-4-methylphenyl)ethyl]guanidine

2-[2-(3-hydroxy-4-methylphenyl)ethyl]guanidine (PubChem CID 118351548) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-[2-(3-hydroxy-4-methylphenyl)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(3-hydroxy-4-methylphenyl)ethyl]guanidine
PubChem CID118351548
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-[2-(3-hydroxy-4-methylphenyl)ethyl]guanidine
SMILESCc1ccc(CCN=C(N)N)cc1O
InChIInChI=1S/C10H15N3O/c1-7-2-3-8(6-9(7)14)4-5-13-10(11)12/h2-3,6,14H,4-5H2,1H3,(H4,11,12,13)
InChIKeyHAVZRIFVNXVDTF-UHFFFAOYSA-N
XLogP0.52
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.52
H-Bond Donors ≤ 53
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

5-[2-(3-hydroxy-4-methylphenyl)ethyl]-2-methylphenol
CID 138664749
2-methyl-5-(4-methylpentyl)phenol
CID 163753923
2-[2-(3-methyl-4-propan-2-yloxyphenyl)ethyl]guanidine
CID 112518124
2-methyl-5-[3-(methylamino)propyl]phenol
CID 83696087
CID 175900742
CID 175900742
2-[2-(4-fluorophenyl)ethyl]guanidine
CID 7176009
4-(3-hydroxy-4-methylphenyl)butan-2-one
CID 83695947
2-[2-(4-propan-2-ylphenyl)ethyl]guanidine;hydrochloride
CID 141469459
2-[2-(3-bromo-4-methoxyphenyl)ethyl]guanidine
CID 59851874
2-[2-(2-methylphenyl)ethyl]guanidine;2-[2-(3-methylphenyl)ethyl]guanidine;2-[2-(4-methylphenyl)ethyl]guanidine
CID 159713930
2-[3-(4-methylphenyl)propyl]guanidine
CID 95436878
2-[2-(3-bromo-4-fluorophenyl)ethyl]guanidine;hydroiodide
CID 110917301

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxy-4-methylphenyl)ethyl]guanidine?
The IUPAC name of 2-[2-(3-hydroxy-4-methylphenyl)ethyl]guanidine (CID 118351548) is 2-[2-(3-hydroxy-4-methylphenyl)ethyl]guanidine.
What is the SMILES notation for 2-[2-(3-hydroxy-4-methylphenyl)ethyl]guanidine?
The canonical SMILES for 2-[2-(3-hydroxy-4-methylphenyl)ethyl]guanidine is Cc1ccc(CCN=C(N)N)cc1O.
What is the InChIKey of 2-[2-(3-hydroxy-4-methylphenyl)ethyl]guanidine?
The InChIKey is HAVZRIFVNXVDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7-2-3-8(6-9(7)14)4-5-13-10(11)12/h2-3,6,14H,4-5H2,1H3,(H4,11,12,13).
What are the key properties of 2-[2-(3-hydroxy-4-methylphenyl)ethyl]guanidine?
2-[2-(3-hydroxy-4-methylphenyl)ethyl]guanidine has a molecular weight of 193.25 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxy-4-methylphenyl)ethyl]guanidine is sourced from PubChem (CID 118351548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).