1-(3-hydroxyphenyl)-2-(2-methylphenyl)guanidine;hydrochloride

C14H16ClN3O — CID 14771708

IUPAC1-(3-hydroxyphenyl)-2-(2-methylphenyl)guanidine;hydrochloride
SMILESCc1ccccc1/N=C(\N)Nc1cccc(O)c1.Cl
InChIInChI=1S/C14H15N3O.ClH/c1-10-5-2-3-8-13(10)17-14(15)16-11-6-4-7-12(18)9-11;/h2-9,18H,1H3,(H3,15,16,17);1H
InChIKeySCTNLGBIKQEYLS-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.18
Rot. Bonds2

About 1-(3-hydroxyphenyl)-2-(2-methylphenyl)guanidine;hydrochloride

1-(3-hydroxyphenyl)-2-(2-methylphenyl)guanidine;hydrochloride (PubChem CID 14771708) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-2-(2-methylphenyl)guanidine;hydrochloride.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-2-(2-methylphenyl)guanidine;hydrochloride
PubChem CID14771708
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name1-(3-hydroxyphenyl)-2-(2-methylphenyl)guanidine;hydrochloride
SMILESCc1ccccc1/N=C(\N)Nc1cccc(O)c1.Cl
InChIInChI=1S/C14H15N3O.ClH/c1-10-5-2-3-8-13(10)17-14(15)16-11-6-4-7-12(18)9-11;/h2-9,18H,1H3,(H3,15,16,17);1H
InChIKeySCTNLGBIKQEYLS-UHFFFAOYSA-N
XLogP3.18
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.18
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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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-2-(2-methylphenyl)guanidine;hydrochloride?
The IUPAC name of 1-(3-hydroxyphenyl)-2-(2-methylphenyl)guanidine;hydrochloride (CID 14771708) is 1-(3-hydroxyphenyl)-2-(2-methylphenyl)guanidine;hydrochloride.
What is the SMILES notation for 1-(3-hydroxyphenyl)-2-(2-methylphenyl)guanidine;hydrochloride?
The canonical SMILES for 1-(3-hydroxyphenyl)-2-(2-methylphenyl)guanidine;hydrochloride is Cc1ccccc1/N=C(\N)Nc1cccc(O)c1.Cl.
What is the InChIKey of 1-(3-hydroxyphenyl)-2-(2-methylphenyl)guanidine;hydrochloride?
The InChIKey is SCTNLGBIKQEYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O.ClH/c1-10-5-2-3-8-13(10)17-14(15)16-11-6-4-7-12(18)9-11;/h2-9,18H,1H3,(H3,15,16,17);1H.
What are the key properties of 1-(3-hydroxyphenyl)-2-(2-methylphenyl)guanidine;hydrochloride?
1-(3-hydroxyphenyl)-2-(2-methylphenyl)guanidine;hydrochloride has a molecular weight of 277.76 g/mol, XLogP of 3.18, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-2-(2-methylphenyl)guanidine;hydrochloride is sourced from PubChem (CID 14771708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).